UCSF

ZINC43458715

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 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) 3.04 8.3 -27.69 3 3 1 45 286.305 3
Mid Mid (pH 6-8) 3.04 7.85 -9.37 2 3 0 44 285.297 3

Activity (Go SEA)

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