UCSF

ZINC19953034

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 12 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) 1.67 3.03 -26.52 4 3 1 52 166.248 3
Hi High (pH 8-9.5) 1.67 2.54 -4.44 3 3 0 51 165.24 3

Activity (Go SEA)

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