UCSF

ZINC13576951

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 31 No

Other Names:

MFCD01029421

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) 6.14 12.99 -12.14 0 5 0 47 429.545 5
Ref Reference (pH 7) 6.14 11.82 -11.17 0 5 0 47 429.545 5
Lo Low (pH 4.5-6) 6.14 12.23 -29.68 1 5 1 48 430.553 5
Lo Low (pH 4.5-6) 6.14 13.32 -28.16 1 5 1 48 430.553 5

Activity (Go SEA)

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