UCSF

ZINC19982864

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 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) 0.71 3.22 -92.53 0 6 -2 112 266.278 6
Mid Mid (pH 6-8) 0.71 3.15 -56.37 1 6 -1 110 267.286 6

Activity (Go SEA)

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