UCSF

ZINC28570709

Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2009 22 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) -0.38 3.61 -66.77 1 9 -1 137 307.238 6
Lo Low (pH 4.5-6) -0.38 2.72 -36.27 2 9 0 141 308.246 6

Activity (Go SEA)

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