UCSF

ZINC16898079

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 32 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) 5.58 9.3 -55.63 1 6 -1 95 462.576 6
Mid Mid (pH 6-8) 5.12 10.8 -17.06 2 6 0 92 463.584 6
Mid Mid (pH 6-8) 5.12 10.55 -21.87 2 6 0 92 463.584 6

Activity (Go SEA)

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