UCSF

ZINC36398134

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2009 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) 3.58 9.53 -13.47 1 5 0 56 357.841 6
Mid Mid (pH 6-8) 3.58 10.02 -36.34 2 5 1 57 358.849 6

Activity (Go SEA)

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