UCSF

ZINC54847624

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2010 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) -0.19 2.83 -12.27 1 8 0 79 289.343 3
Lo Low (pH 4.5-6) -0.19 4.98 -46.39 2 8 1 80 290.351 3

Activity (Go SEA)

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