UCSF

ZINC09086172

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 32 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) 2.44 7.29 -45.18 0 8 -1 97 440.472 10
Mid Mid (pH 6-8) 1.86 6.92 -26.03 0 8 0 91 441.48 10
Mid Mid (pH 6-8) 2.89 5.93 -32.65 1 8 0 95 441.48 9

Activity (Go SEA)

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