UCSF

ZINC36678462

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 14 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) 0.88 4.64 -7.86 2 3 0 44 211.334 4
Lo Low (pH 4.5-6) 0.88 4.77 -30.88 3 3 1 45 212.342 4

Activity (Go SEA)

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