UCSF

ZINC20759019

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 35 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) 3.18 8.07 -52.15 2 8 1 86 471.537 6
Mid Mid (pH 6-8) 3.18 7.64 -21.03 1 8 0 85 470.529 6
Mid Mid (pH 6-8) 3.36 7.17 -91.02 3 8 2 91 472.545 6
Mid Mid (pH 6-8) 3.36 4.47 -15.6 1 8 0 89 470.529 6
Mid Mid (pH 6-8) 3.18 10.34 -96.65 3 8 2 88 472.545 6

Activity (Go SEA)

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