UCSF

ZINC44132291

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 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) 2.49 4.46 -5.47 1 3 0 33 271.36 3
Mid Mid (pH 6-8) 2.49 6.67 -38.13 2 3 1 34 272.368 3

Activity (Go SEA)

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