UCSF

ZINC19901227

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 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) 2.96 4.67 -43.49 3 2 1 37 194.298 6
Hi High (pH 8-9.5) 2.96 5.46 -65.1 2 2 0 40 193.29 6

Activity (Go SEA)

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