UCSF

ZINC44116465

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) 2.21 5.68 -37.31 2 3 1 28 271.384 3
Mid Mid (pH 6-8) 2.21 3.32 -5.46 1 3 0 27 270.376 3

Activity (Go SEA)

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