UCSF

ZINC00542519

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 17 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) 2.54 -2.77 -9.93 2 5 0 70 235.287 3
Mid Mid (pH 6-8) 2.54 3.64 -42.16 1 5 -1 74 234.279 3

Activity (Go SEA)

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