UCSF

ZINC19851242

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 27 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) 3.11 8.36 -51.57 2 5 1 46 371.549 6
Hi High (pH 8-9.5) 3.11 6.05 -11.69 1 5 0 45 370.541 6
Mid Mid (pH 6-8) 3.11 8.77 -93.7 3 5 2 47 372.557 6
Lo Low (pH 4.5-6) 3.11 8.78 -75 3 5 2 47 372.557 6

Activity (Go SEA)

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