UCSF

ZINC39343971

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -1.56 -3.89 -323.08 2 15 -4 238 470.249 7
Mid Mid (pH 6-8) -2.02 -1.93 -253.93 3 15 -3 235 471.257 7
Mid Mid (pH 6-8) -2.02 -2.37 -256.31 3 15 -3 235 471.257 7
Lo Low (pH 4.5-6) -2.02 -3.08 -134.29 4 15 -2 232 472.265 7

Activity (Go SEA)

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