UCSF

ZINC00705668

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 25 No

Other Names:

MFCD01304593

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) 3.75 4.32 -15.41 2 7 0 93 467.073 2
Ref Reference (pH 7) 3.75 4.47 -9.89 2 7 0 93 467.073 2
Hi High (pH 8-9.5) 4.20 2.42 -48.69 1 7 -1 96 466.065 2
Mid Mid (pH 6-8) 4.20 2.73 -37.23 1 7 -1 96 466.065 2

Activity (Go SEA)

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