UCSF

ZINC37039268

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 0.01 0.4 -52.7 3 6 1 81 313.447 6
Mid Mid (pH 6-8) 0.01 2.18 -126.33 4 6 2 82 314.455 6

Activity (Go SEA)

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