UCSF

ZINC44685168

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 2.77 7.64 -30.7 2 2 1 16 296.232 4
Hi High (pH 8-9.5) 2.77 5.24 -2.16 1 2 0 15 295.224 4
Lo Low (pH 4.5-6) 2.77 8.84 -104.46 3 2 2 21 297.24 4

Activity (Go SEA)

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