UCSF

ZINC02175005

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2005 22 No

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) 4.21 6.32 -9.85 1 4 0 55 310.378 2
Hi High (pH 8-9.5) 4.21 7.5 -43.66 0 4 -1 57 309.37 2

Activity (Go SEA)

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