UCSF

ZINC34933669

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 27 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) 3.72 9.35 -58.98 0 5 -1 74 443.298 5
Lo Low (pH 4.5-6) 3.72 8.6 -13.39 1 5 0 71 444.306 5

Activity (Go SEA)

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