UCSF

ZINC07708141

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2006 23 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) 2.83 -4.21 -13.96 1 5 0 66 395.278 4
Hi High (pH 8-9.5) 2.83 -3.7 -47.44 0 5 -1 68 394.27 4

Activity (Go SEA)

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