UCSF

ZINC21814936

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 3.26 10.08 -50.44 3 1 1 28 272.387 6
Hi High (pH 8-9.5) 3.26 9.78 -2.83 2 1 0 26 271.379 6

Activity (Go SEA)

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