UCSF

ZINC13440102

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 15 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) 0.72 3.46 -111.22 6 3 2 60 205.305 5
Hi High (pH 8-9.5) 0.72 3.07 -40.7 5 3 1 58 204.297 5
Mid Mid (pH 6-8) 0.72 2.09 -44 5 3 1 55 204.297 5

Activity (Go SEA)

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