UCSF

ZINC05974325

Substance Information

In ZINC since Heavy atoms Benign functionality
February 21st, 2006 13 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) 0.11 2.95 -7.46 4 4 0 78 178.17 0
Mid Mid (pH 6-8) 0.11 3.31 -28.4 5 4 1 79 179.178 0
Mid Mid (pH 6-8) 0.11 -2.4 -27.75 5 4 1 79 179.178 0

Activity (Go SEA)

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