UCSF

ZINC37142899

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) 1.57 4.65 -41.87 2 5 1 54 318.507 6
Mid Mid (pH 6-8) 1.57 3.43 -47.21 2 5 1 57 318.507 6
Lo Low (pH 4.5-6) 1.57 5.67 -115.34 3 5 2 58 319.515 6

Activity (Go SEA)

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