UCSF

ZINC45385099

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2010 16 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) 1.29 -0.29 -35.66 3 5 1 85 220.204 0
Mid Mid (pH 6-8) 0.66 1.45 -15.59 2 5 0 80 219.196 1

Activity (Go SEA)

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