UCSF

ZINC09311896

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 38 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) 3.78 11.13 -80.11 2 8 0 104 516.594 10
Hi High (pH 8-9.5) 3.78 8.6 -61.47 1 8 -1 102 515.586 10
Mid Mid (pH 6-8) 3.19 -0.18 -49.98 2 8 1 97 517.602 10
Mid Mid (pH 6-8) 4.22 10.54 -48.25 3 8 1 101 517.602 9

Activity (Go SEA)

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