UCSF

ZINC36881296

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 16 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) 0.70 3.82 -15.02 0 4 0 50 262.762 6
Lo Low (pH 4.5-6) 0.70 4.28 -40.61 1 4 1 52 263.77 6

Activity (Go SEA)

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