UCSF

ZINC41695180

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 17 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) 1.43 3.74 -38.89 2 4 1 37 262.805 5
Mid Mid (pH 6-8) 1.43 3.63 -41.98 2 4 1 37 262.805 5
Mid Mid (pH 6-8) 1.43 1.37 -6.55 1 4 0 36 261.797 5

Activity (Go SEA)

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