UCSF

ZINC09339374

Substance Information

In ZINC since Heavy atoms Benign functionality
August 19th, 2007 23 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) 2.35 8.09 -16.97 1 6 0 73 309.373 3
Lo Low (pH 4.5-6) 2.35 -0.06 -36.54 2 6 1 73 310.381 3

Activity (Go SEA)

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