UCSF

ZINC07811844

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2006 19 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) 4.17 9.21 -37.07 2 3 1 34 373.258 3
Hi High (pH 8-9.5) 3.99 8.43 -26.94 1 3 0 40 372.25 3

Activity (Go SEA)

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