UCSF

ZINC13549248

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 20 No

Other Names:

MFCD00523302

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) 2.58 7.87 -58.7 0 5 -1 78 272.28 2
Ref Reference (pH 7) 2.58 7.8 -56.41 0 5 -1 78 272.28 2

Activity (Go SEA)

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