UCSF

ZINC05154772

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 19 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) 4.41 8.57 -7.51 1 3 0 46 274.389 5
Mid Mid (pH 6-8) 4.86 6.89 -46.88 0 3 -1 49 273.381 5

Activity (Go SEA)

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