UCSF

ZINC45649095

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 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) -1.96 3.19 -109.39 2 8 -2 131 274.273 9
Lo Low (pH 4.5-6) -1.96 1.22 -55.73 3 8 -1 128 275.281 9

Activity (Go SEA)

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