UCSF

ZINC24080881

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2009 34 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) 4.64 13.2 -70.1 1 6 0 74 468.569 11
Hi High (pH 8-9.5) 4.64 10.97 -55.51 0 6 -1 73 467.561 11

Activity (Go SEA)

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