UCSF

ZINC37859104

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 0.41 -0.6 -10.19 1 6 0 73 291.398 3
Mid Mid (pH 6-8) 0.41 1.62 -47.28 2 6 1 75 292.406 3
Mid Mid (pH 6-8) 0.86 -2.88 -41.66 0 6 -1 77 290.39 3
Mid Mid (pH 6-8) 0.86 -0.63 -60.12 1 6 0 78 291.398 3

Activity (Go SEA)

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