UCSF

ZINC43900699

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 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) 3.41 4.31 -2.72 1 2 0 15 274.33 6
Mid Mid (pH 6-8) 3.41 6.57 -34.33 2 2 1 16 275.338 6
Lo Low (pH 4.5-6) 3.41 8.19 -114.33 3 2 2 21 276.346 6

Activity (Go SEA)

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