UCSF

ZINC34465449

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 12 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) -4.97 -0.67 -122.72 2 7 -2 130 175.096 4
Lo Low (pH 4.5-6) -4.97 -2.42 -51.39 3 7 -1 127 176.104 4

Activity (Go SEA)

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