UCSF

ZINC19916168

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 21 Yes

Other Names:

MFCD13566052

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) 2.25 3.57 -10.85 2 5 0 60 287.315 4
Hi High (pH 8-9.5) 2.25 4.32 -47.89 1 5 -1 63 286.307 4

Activity (Go SEA)

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