UCSF

ZINC09334130

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 30 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) 3.67 10.87 -59.33 0 5 -1 73 417.872 5
Mid Mid (pH 6-8) 3.08 -0.21 -12.68 0 5 0 67 418.88 5
Lo Low (pH 4.5-6) 3.08 -0.1 -40.74 1 5 1 68 419.888 5
Lo Low (pH 4.5-6) 3.67 10.04 -15.36 1 5 0 71 418.88 5

Activity (Go SEA)

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