UCSF

ZINC42854071

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 23 No

Other Names:

MFCD00079352

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) -2.06 -2.6 -58.07 4 12 -1 178 344.2 1
Mid Mid (pH 6-8) -1.61 -3.96 -104.35 3 12 -2 181 343.192 1

Activity (Go SEA)

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