UCSF

ZINC36626368

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 28 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) 2.38 4.21 -18.45 1 8 0 107 419.484 7
Mid Mid (pH 6-8) 2.45 2.56 -46.89 0 8 -1 114 418.476 7

Activity (Go SEA)

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