UCSF

ZINC19795336

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 14 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) -0.56 5.17 -29.38 1 4 0 48 198.266 4
Hi High (pH 8-9.5) -0.56 2.98 -43.68 0 4 -1 47 197.258 4

Activity (Go SEA)

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