UCSF

ZINC37080702

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) 0.92 5.24 -122.25 4 5 2 60 282.384 7
Mid Mid (pH 6-8) 0.92 3.79 -44.26 3 5 1 59 281.376 7
Mid Mid (pH 6-8) 0.92 4.74 -33.01 3 5 1 58 281.376 7

Activity (Go SEA)

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