UCSF

ZINC09008737

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 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) 3.51 10.44 -60.42 0 8 -1 109 485.516 9
Mid Mid (pH 6-8) 3.95 10.87 -16.39 1 8 0 106 486.524 8
Lo Low (pH 4.5-6) 3.95 11.17 -45.77 2 8 1 107 487.532 8

Activity (Go SEA)

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