UCSF

ZINC37838421

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 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) -1.54 3.58 -52.16 0 7 -1 84 314.387 4
Lo Low (pH 4.5-6) -1.54 5.83 -61.49 1 7 0 85 315.395 4

Activity (Go SEA)

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