UCSF

ZINC26669748

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 27 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) 3.05 10.46 -43.37 1 4 1 55 367.423 4
Mid Mid (pH 6-8) 3.05 10.52 -50.49 1 4 1 55 367.423 4
Mid Mid (pH 6-8) 3.05 8.15 -8.74 0 4 0 54 366.415 4

Activity (Go SEA)

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