UCSF

ZINC44722980

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 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) 2.41 6.17 -35.27 3 4 1 46 294.806 5
Mid Mid (pH 6-8) 2.41 4.97 -43.8 3 4 1 49 294.806 5
Lo Low (pH 4.5-6) 2.41 7.41 -114.41 4 4 2 50 295.814 5

Activity (Go SEA)

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