UCSF

ZINC00535777

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 25 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) 1.34 4.32 -25.42 2 10 0 135 347.331 6
Hi High (pH 8-9.5) 1.34 5.25 -68.58 1 10 -1 137 346.323 6

Activity (Go SEA)

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