UCSF

ZINC37468671

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 14 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) 0.44 -1.53 -50.79 5 4 1 77 201.29 4
Mid Mid (pH 6-8) 0.44 -1.88 -6.25 4 4 0 75 200.282 4

Activity (Go SEA)

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