UCSF

ZINC37876747

Substance Information

In ZINC since Heavy atoms Benign functionality
December 17th, 2009 18 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) 0.83 2.2 -43.64 3 5 1 55 255.338 7
Hi High (pH 8-9.5) 0.83 -0.34 -8.01 2 5 0 54 254.33 7

Activity (Go SEA)

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