UCSF

ZINC32116305

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 3.58 9.7 -49.12 1 2 1 28 270.183 2
Hi High (pH 8-9.5) 3.58 7.39 -7.49 0 2 0 27 269.175 2

Activity (Go SEA)

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