UCSF

ZINC61469186

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 20 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) 1.77 7.28 -53.89 1 5 1 51 274.344 3
Mid Mid (pH 6-8) 1.77 5.06 -16.1 0 5 0 50 273.336 3

Activity (Go SEA)

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