UCSF

ZINC41287762

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 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) 1.20 4.9 -18.03 1 4 0 46 203.245 3
Mid Mid (pH 6-8) 1.20 5.19 -31.03 2 4 1 48 204.253 3

Activity (Go SEA)

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