UCSF

ZINC20095276

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 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) 2.79 7.84 -36.75 2 4 1 34 291.463 5
Mid Mid (pH 6-8) 2.79 9.05 -115.23 3 4 2 39 292.471 5
Mid Mid (pH 6-8) 2.79 6.91 -40.57 2 4 1 38 291.463 5

Activity (Go SEA)

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