UCSF

ZINC32836293

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2009 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) 3.20 7.95 -40.27 2 4 1 59 297.378 6
Hi High (pH 8-9.5) 3.20 6.82 -11.05 1 4 0 54 296.37 6

Activity (Go SEA)

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