UCSF

ZINC40389854

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2010 22 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) 4.76 12.98 -48.24 1 3 1 22 302.486 10
Mid Mid (pH 6-8) 4.76 13.42 -90.57 2 3 2 24 303.494 10

Activity (Go SEA)

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