UCSF

ZINC63952583

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 29 No

Popular Name: (6S)-4-amino-6-(4-methoxyphenyl)-3-[2-(5-methyl-2H-indol-3-yl)ethylamino]-1,6-dihydro-1,2,4-triazin- (6S)-4-amino-6-(4-methoxyphenyl)…

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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) 2.25 7.64 -98.51 6 8 2 108 394.479 5 ↓
Hi High (pH 8-9.5) 2.25 7.06 -95.95 6 8 2 108 394.479 6 ↓
Hi High (pH 8-9.5) 2.25 6.91 -39.24 5 8 1 106 393.471 5 ↓

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

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