UCSF

ZINC42549401

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 17 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) 0.26 7.92 -45.78 1 4 1 49 236.339 7
Mid Mid (pH 6-8) 0.26 5.66 -11.31 0 4 0 47 235.331 7

Activity (Go SEA)

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