UCSF

ZINC19537051

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 22 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) 3.95 10.82 -36.59 1 2 1 8 295.45 5
Mid Mid (pH 6-8) 3.95 10.76 -35.96 1 2 1 8 295.45 5
Mid Mid (pH 6-8) 3.95 8.44 -3.05 0 2 0 6 294.442 5

Activity (Go SEA)

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