UCSF

ZINC02613836

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2004 29 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) 6.79 11.74 -17.74 1 4 0 55 422.575 7
Hi High (pH 8-9.5) 7.25 10.5 -47.62 0 4 -1 58 421.567 7

Activity (Go SEA)

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