UCSF

ZINC32315596

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 2009 16 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) 0.01 3.54 -17.72 1 5 0 66 237.284 2
Hi High (pH 8-9.5) 0.47 1.72 -49.34 0 5 -1 69 236.276 2

Activity (Go SEA)

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