UCSF

ZINC37828159

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 No

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) -0.43 2.42 -50.56 1 7 -1 93 280.304 6
Mid Mid (pH 6-8) -0.43 4.55 -72.21 2 7 0 94 281.312 6

Activity (Go SEA)

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