UCSF

ZINC00652838

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 27 Yes

Other Names:

MFCD00559080

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) 4.96 3.95 -10.36 0 4 0 62 378.428 6
Lo Low (pH 4.5-6) 4.96 4.14 -41.14 1 4 1 64 379.436 6

Activity (Go SEA)

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