UCSF

ZINC36744957

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) -0.36 -2.77 -66.75 5 7 1 115 291.349 7
Hi High (pH 8-9.5) -0.36 -4.13 -17.8 4 7 0 111 290.341 7

Activity (Go SEA)

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