UCSF

ZINC04594399

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2005 23 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) -0.11 4.38 -14.75 1 7 0 88 313.361 7
Lo Low (pH 4.5-6) -0.11 4.78 -42.42 2 7 1 89 314.369 7

Activity (Go SEA)

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