UCSF

ZINC02562244

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 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) 3.19 8.44 -42.87 1 4 0 59 252.273 2
Mid Mid (pH 6-8) 3.19 7.97 -60.9 0 4 -1 57 251.265 2

Activity (Go SEA)

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