UCSF

ZINC37835773

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.65 4.52 -52.02 0 7 -1 97 294.331 7
Mid Mid (pH 6-8) -0.65 6.79 -65.84 1 7 0 98 295.339 7
Lo Low (pH 4.5-6) -0.65 5.42 -50.81 2 7 1 95 296.347 7

Activity (Go SEA)

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