UCSF

ZINC16898082

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 35 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) 6.31 11.13 -56.08 1 6 -1 95 502.641 6
Mid Mid (pH 6-8) 5.86 12.61 -16.91 2 6 0 92 503.649 6
Mid Mid (pH 6-8) 5.86 12.36 -22.16 2 6 0 92 503.649 6

Activity (Go SEA)

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