UCSF

ZINC01465257

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2004 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) 1.78 8.9 -13.57 2 8 0 98 333.355 3
Lo Low (pH 4.5-6) -1.95 -0.08 -39.07 3 8 1 99 334.363 3
Lo Low (pH 4.5-6) 1.96 8.42 -32.74 3 8 1 102 334.363 3

Activity (Go SEA)

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