UCSF

ZINC02584510

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 25 No

Other Names:

MFCD00043684

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) 7.84 14.17 -5.59 0 2 0 22 337.507 11
Ref Reference (pH 7) 7.84 13.36 -5.79 0 2 0 22 337.507 11
Lo Low (pH 4.5-6) 7.84 14.52 -32.23 1 2 1 23 338.515 11
Lo Low (pH 4.5-6) 7.84 13.79 -34.41 1 2 1 23 338.515 11

Activity (Go SEA)

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