UCSF

ZINC28824932

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 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) 1.21 5.61 -41.17 4 4 1 64 270.356 3
Mid Mid (pH 6-8) 1.21 5.33 -11.73 3 4 0 62 269.348 3

Activity (Go SEA)

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