UCSF

ZINC20189012

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 19 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) 1.62 2.56 -37.6 4 4 1 57 265.377 4
Hi High (pH 8-9.5) 1.62 2.28 -71.21 3 4 0 63 264.369 4
Hi High (pH 8-9.5) 1.62 2.43 -52.91 3 4 0 63 264.369 4
Mid Mid (pH 6-8) 1.62 1.49 -48.05 4 4 1 60 265.377 4

Activity (Go SEA)

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