UCSF

ZINC12805532

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2008 25 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) 3.40 8.51 -10.85 1 5 0 62 357.841 5
Mid Mid (pH 6-8) 3.40 10.81 -51.88 2 5 1 63 358.849 5

Activity (Go SEA)

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