UCSF

ZINC32126767

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) 0.47 0.87 -51.9 3 5 1 59 281.376 7
Hi High (pH 8-9.5) 0.47 -0.63 -7.15 2 5 0 54 280.368 7
Lo Low (pH 4.5-6) 0.47 1.7 -41.46 3 5 1 55 281.376 7

Activity (Go SEA)

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