UCSF

ZINC51606161

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 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) 1.60 3.84 -48.15 0 5 -1 85 272.309 4
Mid Mid (pH 6-8) 1.60 3.71 -15.26 1 5 0 83 273.317 4
Lo Low (pH 4.5-6) 1.60 4.3 -50.97 1 5 0 86 273.317 4

Activity (Go SEA)

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