UCSF

ZINC19926650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 Yes

Other Names:

MFCD06249823

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) 1.14 5.49 -47.68 2 5 1 53 293.416 2
Mid Mid (pH 6-8) 1.14 5.32 -50.8 2 5 1 53 293.416 2
Mid Mid (pH 6-8) 1.14 3.02 -12.52 1 5 0 52 292.408 2

Activity (Go SEA)

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