UCSF

ZINC37033803

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 17 No

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) 1.61 0.99 -46.39 4 5 1 83 292.171 2
Hi High (pH 8-9.5) 1.79 -1.05 -36.27 3 5 0 89 291.163 2

Activity (Go SEA)

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