UCSF

ZINC42461115

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 0.60 1.49 -9.23 3 5 0 71 223.276 1
Mid Mid (pH 6-8) 0.16 0.29 -52.44 3 5 1 70 224.284 1

Activity (Go SEA)

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