UCSF

ZINC25444930

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 0.99 2.84 -23.82 2 8 0 110 382.467 7
Hi High (pH 8-9.5) 1.18 1.77 -45.69 1 8 -1 117 381.459 7

Activity (Go SEA)

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