UCSF

ZINC36771143

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 17 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) 1.27 5.35 -125.88 4 3 2 45 235.375 3
Hi High (pH 8-9.5) 1.27 3.51 -41.65 3 3 1 44 234.367 3
Hi High (pH 8-9.5) 1.27 5.75 -37.87 3 3 1 43 234.367 3

Activity (Go SEA)

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