UCSF

ZINC36754524

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 19 Yes

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) 0.51 2.24 -50.62 4 5 1 84 259.333 3
Lo Low (pH 4.5-6) 0.51 4.44 -116.62 5 5 2 85 260.341 3

Activity (Go SEA)

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