UCSF

ZINC20040713

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) 3.49 6.49 -43.08 3 3 1 46 235.351 6
Hi High (pH 8-9.5) 3.49 5.22 -9.58 2 3 0 41 234.343 6

Activity (Go SEA)

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