UCSF

ZINC43425653

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 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) 0.77 4.21 -35.98 4 5 1 77 275.376 2
Mid Mid (pH 6-8) 0.77 5.28 -7.49 3 5 0 75 274.368 2
Lo Low (pH 4.5-6) 0.77 4.64 -92.84 5 5 2 78 276.384 2

Activity (Go SEA)

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