UCSF

ZINC05381028

Substance Information

In ZINC since Heavy atoms Benign functionality
January 31st, 2006 21 Yes

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) 4.00 8.98 -9.42 0 3 0 39 313.813 4
Lo Low (pH 4.5-6) 4.00 9.26 -39.22 1 3 1 40 314.821 4

Activity (Go SEA)

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