UCSF

ZINC05013383

Substance Information

In ZINC since Heavy atoms Benign functionality
January 16th, 2006 24 No

Other Names:

MFCD01954038

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) 2.89 4.19 -8.09 3 6 0 97 324.384 5
Ref Reference (pH 7) 2.89 3.46 -9.24 3 6 0 97 324.384 5
Lo Low (pH 4.5-6) 2.89 4.48 -52.51 4 6 1 99 325.392 5

Activity (Go SEA)

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