UCSF

ZINC04473544

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2005 26 No

Other Names:

MFCD01243702

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) 3.56 9.06 -13.5 1 7 0 141 345.362 2
Hi High (pH 8-9.5) 3.56 9.26 -15.04 0 7 0 139 344.354 2
Mid Mid (pH 6-8) 3.56 2.44 -56.47 2 7 1 142 346.37 2

Activity (Go SEA)

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