UCSF

ZINC20309063

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 12 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) 0.35 -0.22 -39.99 4 4 1 69 175.252 7
Mid Mid (pH 6-8) 0.35 -1.44 -11.31 3 4 0 64 174.244 7

Activity (Go SEA)

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