UCSF

ZINC23282388

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 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) 3.69 8.69 -32.9 1 2 1 14 250.406 1
Mid Mid (pH 6-8) 3.69 7.19 -1.6 0 2 0 12 249.398 1

Activity (Go SEA)

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