UCSF

ZINC40490130

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 22 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) 2.88 7.63 -41.05 2 5 1 56 303.382 8
Hi High (pH 8-9.5) 2.88 5.49 -9.07 1 5 0 55 302.374 8

Activity (Go SEA)

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