UCSF

ZINC12418002

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 26 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) 2.71 6.54 -10.62 1 6 0 68 380.51 6
Mid Mid (pH 6-8) 2.71 8.81 -48.06 2 6 1 69 381.518 6

Activity (Go SEA)

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