UCSF

ZINC42895392

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 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) 3.77 7.84 -41.88 2 3 1 35 272.368 7
Hi High (pH 8-9.5) 3.77 6.7 -6.88 1 3 0 30 271.36 7

Activity (Go SEA)

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