UCSF

ZINC09241808

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 26 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) 4.58 -0.99 -14.61 0 4 0 46 424.323 4
Lo Low (pH 4.5-6) 4.58 -0.88 -50.21 1 4 1 47 425.331 4

Activity (Go SEA)

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