UCSF

ZINC62708856

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2011 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) 3.90 8.94 -61.45 2 1 1 17 286.704 4
Mid Mid (pH 6-8) 3.90 7.59 -6.99 1 1 0 12 285.696 4

Activity (Go SEA)

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