UCSF

ZINC12139842

Substance Information

In ZINC since Heavy atoms Benign functionality
March 27th, 2008 32 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) 4.66 10.12 -18.67 2 8 0 110 496.68 9
Hi High (pH 8-9.5) 4.79 7.4 -106.62 1 8 -2 123 494.664 9

Activity (Go SEA)

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