UCSF

ZINC34875436

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2009 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) -1.58 -1.56 -60.67 6 7 1 120 269.325 4
Mid Mid (pH 6-8) -1.58 -1.89 -25.44 5 7 0 119 268.317 4

Activity (Go SEA)

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