UCSF

ZINC29339812

Substance Information

In ZINC since Heavy atoms Benign functionality
March 12th, 2009 38 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) 5.67 11.03 -300.65 8 6 4 86 504.682 11
Hi High (pH 8-9.5) 5.67 10.28 -54.64 6 6 2 76 502.666 11
Hi High (pH 8-9.5) 5.67 10.86 -97.05 6 6 2 80 502.666 11

Activity (Go SEA)

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