UCSF

ZINC19537177

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 24 Yes

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) 3.84 10.41 -39.69 1 3 1 17 325.476 5
Mid Mid (pH 6-8) 3.84 10.1 -38.25 1 3 1 17 325.476 5
Mid Mid (pH 6-8) 3.84 8.03 -4.58 0 3 0 16 324.468 5

Activity (Go SEA)

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