UCSF

ZINC38591819

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 29 No

Popular Name: (4aR)-N-[(E)-(3-phenoxyphenyl)methyleneamino]-4aH-[1,2,4]triazino[5,6-b]indol-3-amine (4aR)-N-[(E)-(3-phenoxyphenyl)me…

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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) 4.95 9.67 -94.14 3 7 2 86 382.427 5 ↓
Hi High (pH 8-9.5) 4.95 9.5 -32.3 2 7 1 85 381.419 5 ↓
Lo Low (pH 4.5-6) 4.41 10.66 -197.42 4 7 3 88 383.435 4 ↓

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

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