UCSF

ZINC07163864

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2006 24 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) 5.30 7.36 -22.5 2 4 0 62 333.416 3
Hi High (pH 8-9.5) 5.30 7.29 -45.68 1 4 -1 61 332.408 3
Hi High (pH 8-9.5) 5.30 6.5 -15.04 2 4 0 58 333.416 3

Activity (Go SEA)

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