UCSF

ZINC02653716

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2004 20 Yes

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) 1.85 3.23 -19.21 3 6 0 94 312.782 6
Hi High (pH 8-9.5) 1.85 3.07 -46.2 2 6 -1 92 311.774 6

Activity (Go SEA)

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