UCSF

ZINC34936318

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 24 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) -0.14 7.49 -49.75 0 9 -1 127 334.308 5
Lo Low (pH 4.5-6) -0.14 5.52 -15.01 1 9 0 124 335.316 5

Activity (Go SEA)

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