UCSF

ZINC49336826

Substance Information

In ZINC since Heavy atoms Benign functionality
September 27th, 2010 19 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) 1.89 6.72 -42.28 3 4 1 45 259.377 7
Mid Mid (pH 6-8) 1.89 4.73 -38.92 3 4 1 49 259.377 7
Lo Low (pH 4.5-6) 1.89 7.06 -112.11 4 4 2 50 260.385 7

Activity (Go SEA)

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