UCSF

ZINC13572773

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 32 No

Popular Name: (5S)-2-[C-butyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]carbonimidoyl]-3-hydroxy-5-phenyl-cyclohex-2-en-1 (5S)-2-[C-butyl-N-[2-(2-methyl-1…

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Download: MOL2 SDF SMILES Flexibase

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) 6.13 13.03 -46.25 1 4 -1 68 427.568 8 ↓
Mid Mid (pH 6-8) 5.59 14.22 -10.46 2 4 0 62 428.576 8 ↓
Lo Low (pH 4.5-6) 6.13 11.58 -11.71 2 4 0 65 428.576 8 ↓
Lo Low (pH 4.5-6) 6.13 11.62 -12.43 2 4 0 65 428.576 8 ↓

Activity (Go SEA)

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