UCSF

ZINC35661221

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.86 4.57 -50.62 4 3 1 57 267.78 3
Mid Mid (pH 6-8) 2.86 4.29 -5.46 3 3 0 55 266.772 3

Activity (Go SEA)

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