UCSF

ZINC42816079

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 2.31 6.75 -59.73 1 5 -1 78 296.387 5
Mid Mid (pH 6-8) 2.31 4.42 -12.5 2 5 0 76 297.395 5

Activity (Go SEA)

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