UCSF

ZINC02172267

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 16 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) 5.12 7.34 -4.09 1 2 0 29 430.738 2
Hi High (pH 8-9.5) 5.30 6.28 -26.02 0 2 -1 35 429.73 2

Activity (Go SEA)

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