UCSF

ZINC31977343

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 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) 0.35 4.2 -46.66 1 5 1 57 204.257 1
Mid Mid (pH 6-8) 0.35 1.73 -8.96 0 5 0 56 203.249 1

Activity (Go SEA)

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