UCSF

ZINC32104544

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 15 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) 1.48 -0.38 -11.15 2 4 0 66 249.357 5
Hi High (pH 8-9.5) 1.48 -0.84 -46.91 1 4 -1 68 248.349 5

Activity (Go SEA)

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