UCSF

ZINC31811005

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2009 24 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) 3.58 8.65 -39.7 2 4 1 35 325.432 4
Mid Mid (pH 6-8) 3.58 7.38 -46.77 2 4 1 38 325.432 4

Activity (Go SEA)

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