UCSF

ZINC32143796

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 2.96 7.91 -44.33 2 3 1 35 290.358 8
Hi High (pH 8-9.5) 2.96 6.49 -6 1 3 0 30 289.35 8

Activity (Go SEA)

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