UCSF

ZINC12462887

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 32 No

Other Names:

MFCD01051968

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) 6.96 15.35 -14.12 0 5 0 61 442.54 5
Ref Reference (pH 7) 6.96 13.69 -14.37 0 5 0 61 442.54 5
Lo Low (pH 4.5-6) 6.96 16.02 -32.07 1 5 1 62 443.548 5
Lo Low (pH 4.5-6) 6.96 13.97 -34.53 1 5 1 62 443.548 5

Activity (Go SEA)

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