UCSF

ZINC20189050

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 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) 2.03 1.81 -35.87 4 4 1 57 265.377 4
Hi High (pH 8-9.5) 2.03 1.45 -32.47 3 4 0 63 264.369 4
Mid Mid (pH 6-8) 2.03 0.66 -41.28 4 4 1 60 265.377 4

Activity (Go SEA)

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