UCSF

ZINC09210368

Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2007 24 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) 1.84 3.67 -16 1 7 0 94 320.308 3
Lo Low (pH 4.5-6) 2.29 4.61 -99.76 3 7 2 96 322.324 2

Activity (Go SEA)

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