UCSF

ZINC13424429

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 25 No

Other Names:

MFCD02577380

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) 5.14 8.36 -15.71 1 6 0 91 357.366 3
Ref Reference (pH 7) 5.14 8.78 -15.88 1 6 0 91 357.366 3
Hi High (pH 8-9.5) 5.60 6.65 -51.7 0 6 -1 94 356.358 3
Hi High (pH 8-9.5) 5.60 7.33 -51.24 0 6 -1 94 356.358 3

Activity (Go SEA)

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