UCSF

ZINC32090325

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 17 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) 0.65 3.58 -116.54 4 4 2 51 240.347 7
Mid Mid (pH 6-8) 0.65 2.17 -36.62 3 4 1 46 239.339 7

Activity (Go SEA)

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