UCSF

ZINC61296559

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2011 20 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) -0.06 6.93 -110.81 3 5 2 54 280.416 9
Hi High (pH 8-9.5) -0.06 4.45 -42.85 2 5 1 53 279.408 9
Lo Low (pH 4.5-6) -0.06 7.4 -176.76 4 5 3 55 281.424 9

Activity (Go SEA)

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