UCSF

ZINC23332476

Substance Information

In ZINC since Heavy atoms Benign functionality
December 29th, 2008 25 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) 4.65 12.05 -13.51 0 4 0 42 333.366 4
Lo Low (pH 4.5-6) 4.65 12.4 -26.6 1 4 1 43 334.374 4
Lo Low (pH 4.5-6) 4.65 12.4 -30.13 1 4 1 43 334.374 4

Activity (Go SEA)

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