UCSF

ZINC19832096

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 22 Yes

Other Names:

MFCD02040858

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) 4.13 10.58 -40.45 1 2 1 8 315.868 4
Mid Mid (pH 6-8) 4.13 10.52 -36.94 1 2 1 8 315.868 4
Mid Mid (pH 6-8) 4.13 8.2 -3.54 0 2 0 6 314.86 4

Activity (Go SEA)

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