UCSF

ZINC32192668

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 11 No

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) 1.08 0.33 -45.68 1 3 -1 60 155.104 1
Mid Mid (pH 6-8) 1.08 -0.59 -10.17 2 3 0 58 156.112 1

Activity (Go SEA)

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