UCSF

ZINC32119140

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 20 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) 2.23 7.12 -40.38 2 3 1 34 272.368 4
Hi High (pH 8-9.5) 2.23 4.76 -9.09 1 3 0 33 271.36 4

Activity (Go SEA)

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