UCSF

ZINC45698502

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 11 No

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) 0.10 3.46 -39.87 2 3 1 40 156.253 6
Mid Mid (pH 6-8) 0.10 4.83 -106.34 3 3 2 45 157.261 6

Activity (Go SEA)

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