UCSF

ZINC37985772

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 1.65 2.89 -81.03 3 7 0 111 316.379 6
Hi High (pH 8-9.5) 1.65 0.81 -54.55 2 7 -1 110 315.371 6

Activity (Go SEA)

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