UCSF

ZINC16893968

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 34 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 4.32 9.99 -19.91 2 9 0 119 497.602 9
Mid Mid (pH 6-8) 4.32 10.38 -13.99 2 9 0 119 497.602 9
Mid Mid (pH 6-8) 4.78 8.76 -48.95 1 9 -1 122 496.594 9

Activity (Go SEA)

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