UCSF

ZINC06133632

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2006 26 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) 3.49 7.38 -24.74 2 6 0 84 345.358 4
Ref Reference (pH 7) 3.49 7.52 -17.04 2 6 0 84 345.358 4
Hi High (pH 8-9.5) 3.94 5.5 -63.32 1 6 -1 87 344.35 4
Hi High (pH 8-9.5) 3.94 5.77 -47.73 1 6 -1 87 344.35 4

Activity (Go SEA)

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