UCSF

ZINC02494287

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2005 19 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) 3.65 10.94 -34.48 1 3 1 28 259.373 6
Mid Mid (pH 6-8) 3.65 10.43 -9.14 0 3 0 27 258.365 6

Activity (Go SEA)

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