UCSF

ZINC13646850

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 25 No

Other Names:

MFCD02053976

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) 6.02 9.08 -7.74 1 4 0 54 370.861 5
Ref Reference (pH 7) 6.02 9.5 -7.64 1 4 0 54 370.861 5
Ref Reference (pH 7) 5.53 8.92 -39.17 0 4 -1 53 369.853 6

Activity (Go SEA)

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