UCSF

ZINC05361804

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 21 Yes

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) 4.60 8.63 -17.32 1 4 0 51 318.785 3
Hi High (pH 8-9.5) 4.12 7.73 -47.53 0 4 -1 58 317.777 3

Activity (Go SEA)

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