UCSF

ZINC42776305

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 21 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) 4.39 8.03 -10.33 0 2 0 20 340.172 6
Mid Mid (pH 6-8) 4.39 9.89 -40.82 1 2 1 22 341.18 6

Activity (Go SEA)

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