UCSF

ZINC14257380

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2008 38 No

Popular Name: (3E)-3-[[4,6-bis[(4-isopropylphenyl)amino]-1,3,5-triazin-2-yl]hydrazono]indolin-2-one (3E)-3-[[4,6-bis[(4-isopropylphe…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 8.29 19.23 -13.96 4 9 0 120 506.614 8 ↓
Ref Reference (pH 7) 8.29 19.35 -11.8 4 9 0 120 506.614 8 ↓
Hi High (pH 8-9.5) 8.58 17.46 -53.2 3 9 -1 123 505.606 8 ↓
Hi High (pH 8-9.5) 8.58 17.2 -56.67 3 9 -1 123 505.606 8 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.