UCSF

ZINC37809059

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 16 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) 0.92 4.43 -38.36 2 4 1 46 247.384 6
Mid Mid (pH 6-8) 0.92 2.74 -7.7 1 4 0 42 246.376 6

Activity (Go SEA)

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