UCSF

ZINC24080905

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 37 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) 6.18 14.72 -67.52 1 6 0 74 506.687 12
Hi High (pH 8-9.5) 6.18 12.39 -59.3 0 6 -1 73 505.679 12

Activity (Go SEA)

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