UCSF

ZINC37041073

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.53 -0.81 -53.57 7 6 1 112 251.31 5
Hi High (pH 8-9.5) 0.53 -1.14 -13.75 6 6 0 110 250.302 5

Activity (Go SEA)

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