UCSF

ZINC03139436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 31 No

Other Names:

MFCD00289288

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) 7.56 13.58 -14.7 1 5 0 72 448.931 5
Ref Reference (pH 7) 7.56 13.87 -14.28 1 5 0 72 448.931 5
Hi High (pH 8-9.5) 8.02 11.8 -51 0 5 -1 75 447.923 5
Hi High (pH 8-9.5) 8.02 12.29 -48.42 0 5 -1 75 447.923 5

Activity (Go SEA)

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