UCSF

ZINC19482160

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 18 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) 1.76 6.57 -93.82 5 4 2 69 248.374 4
Hi High (pH 8-9.5) 1.76 6.61 -34.5 4 4 1 67 247.366 4

Activity (Go SEA)

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