UCSF

ZINC13233455

Substance Information

In ZINC since Heavy atoms Benign functionality
June 12th, 2008 19 Yes

Other Names:

MFCD00246021

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) 2.29 5.49 -16.76 1 5 0 60 255.277 3
Lo Low (pH 4.5-6) 2.29 5.77 -41.35 2 5 1 61 256.285 3
Lo Low (pH 4.5-6) 2.29 6.18 -103.53 3 5 2 63 257.293 3

Activity (Go SEA)

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