UCSF

ZINC36678320

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 16 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) 1.25 6.05 -11.78 2 3 0 44 233.34 3
Mid Mid (pH 6-8) 1.25 6.49 -31.43 3 3 1 45 234.348 3

Activity (Go SEA)

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