UCSF

ZINC35449054

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 1.09 3.97 -117.07 5 5 2 70 262.357 3
Hi High (pH 8-9.5) 1.09 3.21 -11.01 3 5 0 67 260.341 3
Mid Mid (pH 6-8) 1.09 3.62 -54.88 4 5 1 68 261.349 3

Activity (Go SEA)

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