UCSF

ZINC32130952

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 0.46 0.29 -69.57 3 5 1 80 286.373 5
Hi High (pH 8-9.5) 0.46 -1.09 -15.61 2 5 0 76 285.365 5

Activity (Go SEA)

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