UCSF

ZINC38542071

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 23 No

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) -5.80 3.72 -201.84 1 11 -3 184 333.273 13
Lo Low (pH 4.5-6) -5.80 2.38 -116.21 2 11 -2 181 334.281 13

Activity (Go SEA)

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