UCSF

ZINC25383092

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2009 26 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) 4.41 12.66 -50.09 2 3 1 34 369.554 6
Hi High (pH 8-9.5) 4.41 10.38 -11.13 1 3 0 32 368.546 6

Activity (Go SEA)

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