UCSF

ZINC16749890

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 28 No

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) 3.17 7.37 -64.03 0 6 -1 79 400.476 9
Mid Mid (pH 6-8) 3.62 6.61 -24.74 1 6 0 76 401.484 8
Mid Mid (pH 6-8) 2.59 7.61 -22.59 0 6 0 73 401.484 9

Activity (Go SEA)

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