UCSF

ZINC44687676

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 14 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) 2.31 4.98 -35.66 2 2 1 20 197.346 4
Mid Mid (pH 6-8) 2.31 6.39 -29.31 2 2 1 16 197.346 4
Lo Low (pH 4.5-6) 2.31 7.37 -104.32 3 2 2 21 198.354 4

Activity (Go SEA)

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