UCSF

ZINC16609079

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 26 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) 5.55 9.84 -9.68 0 4 0 38 459.331 3
Ref Reference (pH 7) 5.55 10.12 -8.19 0 4 0 38 459.331 3
Mid Mid (pH 6-8) 5.55 12.11 -42.9 1 4 1 39 460.339 3
Mid Mid (pH 6-8) 5.55 12.4 -41.59 1 4 1 39 460.339 3

Activity (Go SEA)

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