UCSF

ZINC18066021

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 19 Yes

Other Names:

MFCD02149002

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) 2.14 4.77 -13.17 1 5 0 72 276.317 5
Hi High (pH 8-9.5) 2.60 2.79 -44.97 0 5 -1 75 275.309 5
Mid Mid (pH 6-8) 2.14 4.2 -20.24 1 5 0 72 276.317 5

Activity (Go SEA)

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