UCSF

ZINC06493774

Substance Information

In ZINC since Heavy atoms Benign functionality
April 2nd, 2006 24 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) 3.50 8.72 -55.48 0 4 -1 60 340.786 3
Mid Mid (pH 6-8) 3.95 1.02 -17.69 1 4 0 57 341.794 2
Mid Mid (pH 6-8) 2.92 0.49 -9.06 0 4 0 54 341.794 3

Activity (Go SEA)

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