UCSF

ZINC53658373

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 18 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) 0.91 5.61 -93.85 3 4 2 40 258.406 7
Mid Mid (pH 6-8) 0.91 4.39 -31.43 2 4 1 35 257.398 7
Mid Mid (pH 6-8) 0.91 3.35 -37.85 2 4 1 38 257.398 7

Activity (Go SEA)

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