UCSF

ZINC19864890

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 13 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) -0.19 -0.35 -37.14 3 4 1 55 190.263 6
Hi High (pH 8-9.5) -0.19 -1.91 -6.74 2 4 0 51 189.255 6

Activity (Go SEA)

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