UCSF

ZINC42477984

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 0.01 1.67 -46.23 4 4 1 64 208.285 5
Mid Mid (pH 6-8) 0.01 2.14 -98.16 5 4 2 65 209.293 5

Activity (Go SEA)

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