UCSF

ZINC28049350

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2009 20 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) 3.58 7.34 -13.31 1 5 0 64 309.416 6
Mid Mid (pH 6-8) 3.09 6.43 -46.46 0 5 -1 70 308.408 6

Activity (Go SEA)

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