UCSF

ZINC45686790

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.25 5.08 -40.74 4 5 1 60 254.402 7
Mid Mid (pH 6-8) 1.25 5.19 -74.51 5 5 2 62 255.41 7

Activity (Go SEA)

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