UCSF

ZINC20927213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 13 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) 3.03 5.12 -46.66 2 2 1 26 310.009 3
Hi High (pH 8-9.5) 3.03 3.63 -3.17 1 2 0 21 309.001 3

Activity (Go SEA)

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