UCSF

ZINC13424028

Substance Information

In ZINC since Heavy atoms Benign functionality
June 19th, 2008 22 No

Other Names:

MFCD01944482

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) 3.00 6.66 -13.17 0 4 0 42 320.389 2
Lo Low (pH 4.5-6) 3.00 7.59 -31.31 1 4 1 44 321.397 2

Activity (Go SEA)

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