UCSF

ZINC02613774

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 30 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) 6.24 10.62 -17.27 2 5 0 75 455.992 5
Hi High (pH 8-9.5) 6.69 9.37 -46.46 1 5 -1 78 454.984 5

Activity (Go SEA)

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