UCSF

ZINC21049944

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 2.64 3.74 -52.9 4 4 1 74 311.471 5
Hi High (pH 8-9.5) 2.64 3.35 -12.32 3 4 0 72 310.463 5

Activity (Go SEA)

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