UCSF

ZINC02613826

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 6.33 10.01 -15.7 1 3 0 46 344.505 6
Hi High (pH 8-9.5) 6.79 8.77 -46.95 0 3 -1 49 343.497 6

Activity (Go SEA)

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