UCSF

ZINC09379671

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 37 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) 4.95 13.18 -59.34 0 8 -1 109 517.583 9
Mid Mid (pH 6-8) 5.40 12.66 -20.44 1 8 0 106 518.591 8
Mid Mid (pH 6-8) 4.37 1.56 -19.99 0 8 0 102 518.591 9

Activity (Go SEA)

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