UCSF

ZINC09370884

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2007 33 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) 3.49 9.95 -54.27 0 9 -1 125 453.471 9
Mid Mid (pH 6-8) 3.94 8.93 -28.4 1 9 0 122 454.479 8
Mid Mid (pH 6-8) 2.91 1.07 -20.62 0 9 0 118 454.479 9

Activity (Go SEA)

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