UCSF

ZINC19938544

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 34 No

Other Names:

MFCD03501598

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) 3.76 11.44 -78.29 1 7 0 83 466.578 9
Hi High (pH 8-9.5) 3.76 8.91 -59.9 0 7 -1 82 465.57 9
Lo Low (pH 4.5-6) 3.76 10.62 -57.81 2 7 1 81 467.586 9

Activity (Go SEA)

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