UCSF

ZINC16897117

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 30 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) 5.03 8.89 -26.27 2 7 0 101 463.654 6
Hi High (pH 8-9.5) 5.48 7.54 -63.95 1 7 -1 104 462.646 6
Mid Mid (pH 6-8) 5.03 9.32 -21.93 2 7 0 101 463.654 6

Activity (Go SEA)

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