UCSF

ZINC28802542

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 24 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) 3.35 8.21 -40.67 3 4 1 55 327.448 7
Hi High (pH 8-9.5) 3.35 7.3 -12.48 2 4 0 50 326.44 7

Activity (Go SEA)

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