UCSF

ZINC20475238

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 2.13 4.88 -122.15 4 3 2 35 334.327 5
Mid Mid (pH 6-8) 2.13 2.51 -48.88 3 3 1 34 333.319 5

Activity (Go SEA)

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