UCSF

ZINC19943222

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 28 Yes

Other Names:

MFCD00358125

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) 2.74 7.1 -57.92 3 8 1 92 513.214 6
Hi High (pH 8-9.5) 2.74 4.88 -27.32 2 8 0 90 512.206 6

Activity (Go SEA)

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