UCSF

ZINC59101962

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 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) 3.31 4.67 -52.72 1 4 -1 61 239.254 2
Mid Mid (pH 6-8) 3.31 3.91 -10.15 2 4 0 58 240.262 2
Lo Low (pH 4.5-6) 3.31 3.91 -12.29 2 4 0 58 240.262 2
Lo Low (pH 4.5-6) 3.31 4.16 -27.28 3 4 1 59 241.27 2

Activity (Go SEA)

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