UCSF

ZINC45700144

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 15 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) 1.32 5.02 -33.51 1 3 1 25 213.345 6
Mid Mid (pH 6-8) 1.32 5.49 -37.55 1 3 1 25 213.345 6
Lo Low (pH 4.5-6) 1.32 7.49 -106.31 2 3 2 26 214.353 6

Activity (Go SEA)

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