UCSF

ZINC36626361

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 29 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) 2.83 4.89 -18.46 1 8 0 107 433.511 7
Mid Mid (pH 6-8) 2.90 3.25 -46.83 0 8 -1 114 432.503 7

Activity (Go SEA)

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