UCSF

ZINC37142586

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) 2.26 7.34 -41.71 2 4 1 37 296.479 5
Mid Mid (pH 6-8) 2.26 6.13 -47.99 2 4 1 40 296.479 5
Lo Low (pH 4.5-6) 2.26 8.36 -119.34 3 4 2 41 297.487 5

Activity (Go SEA)

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