UCSF

ZINC44685165

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 7.53 -30.75 2 2 1 16 296.232 4
Hi High (pH 8-9.5) 2.77 5.19 -2.26 1 2 0 15 295.224 4
Lo Low (pH 4.5-6) 2.77 8.76 -104.56 3 2 2 21 297.24 4

Activity (Go SEA)

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