UCSF

ZINC12629812

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 22 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) 3.44 9.29 -18.33 1 5 0 60 424.267 3
Mid Mid (pH 6-8) 3.44 9.6 -38.45 2 5 1 61 425.275 3

Activity (Go SEA)

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