UCSF

ZINC12462886

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 29 No

Other Names:

MFCD01029766

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) 6.90 14.4 -10.53 0 3 0 34 402.494 3
Ref Reference (pH 7) 6.90 12.87 -10.43 0 3 0 34 402.494 3
Lo Low (pH 4.5-6) 6.90 14.77 -24.91 1 3 1 36 403.502 3
Lo Low (pH 4.5-6) 6.90 13.21 -26.61 1 3 1 36 403.502 3

Activity (Go SEA)

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