UCSF

ZINC20998706

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 18 No

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) 0.96 6.01 -46.51 1 5 1 45 254.354 2
Hi High (pH 8-9.5) 0.96 3.8 -6.62 0 5 0 44 253.346 2

Activity (Go SEA)

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