UCSF

ZINC01125885

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2004 30 Yes

Other Names:

MFCD05995626

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) 4.48 0.64 -9.82 3 6 0 94 435.427 6
Lo Low (pH 4.5-6) 4.48 0.69 -33.34 4 6 1 95 436.435 6

Activity (Go SEA)

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