UCSF

ZINC30677875

Substance Information

In ZINC since Heavy atoms Benign functionality
April 1st, 2009 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) -0.03 2.46 -56.94 2 5 1 63 243.29 1
Mid Mid (pH 6-8) -0.03 1.09 -12.62 1 5 0 58 242.282 1

Activity (Go SEA)

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