UCSF

ZINC09357845

Substance Information

In ZINC since Heavy atoms Benign functionality
August 23rd, 2007 36 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) 3.35 8.11 -66.42 1 8 -1 108 488.516 10
Mid Mid (pH 6-8) 2.77 -1.7 -16.78 1 8 0 102 489.524 10
Mid Mid (pH 6-8) 3.80 7.68 -25.54 2 8 0 106 489.524 9

Activity (Go SEA)

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