UCSF

ZINC43473864

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 17 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) 0.20 0.08 -13.52 3 6 0 98 262.262 5
Mid Mid (pH 6-8) 0.20 0.16 -46.46 2 6 -1 101 261.254 5

Activity (Go SEA)

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