UCSF

ZINC37142451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 21 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) 2.34 6.8 -40.09 2 4 1 37 296.479 4
Mid Mid (pH 6-8) 2.34 5.58 -48.66 2 4 1 40 296.479 4
Lo Low (pH 4.5-6) 2.34 7.81 -119.11 3 4 2 41 297.487 4

Activity (Go SEA)

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