UCSF

ZINC39246793

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 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) 2.84 11.41 -50.66 1 5 1 48 380.903 4
Hi High (pH 8-9.5) 2.84 9.23 -10.19 0 5 0 46 379.895 4
Mid Mid (pH 6-8) 2.84 12.25 -88.82 2 5 2 49 381.911 4

Activity (Go SEA)

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