UCSF

ZINC40162627

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2010 21 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) -0.16 7.23 -66.52 3 6 0 99 356.151 5
Mid Mid (pH 6-8) -0.16 6.66 -52.17 2 6 -1 98 355.143 5

Activity (Go SEA)

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