UCSF

ZINC16897288

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) 6.87 11.95 -27.58 2 7 0 101 527.741 9
Mid Mid (pH 6-8) 6.87 12.35 -22.18 2 7 0 101 527.741 9
Mid Mid (pH 6-8) 7.33 10.61 -62.19 1 7 -1 104 526.733 9

Activity (Go SEA)

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