UCSF

ZINC06078002

Substance Information

In ZINC since Heavy atoms Benign functionality
March 4th, 2006 19 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) 3.40 9.65 -10.52 1 3 0 38 294.445 4
Hi High (pH 8-9.5) 3.86 9.19 -39 0 3 -1 41 293.437 4

Activity (Go SEA)

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