UCSF

ZINC45015870

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 22 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) 2.72 6.22 -10.91 2 5 0 82 291.31 3
Hi High (pH 8-9.5) 2.72 5.82 -40.34 1 5 -1 80 290.302 3

Activity (Go SEA)

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