UCSF

ZINC09835933

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2007 16 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) 2.24 3.98 -10.83 2 5 0 78 255.324 4
Lo Low (pH 4.5-6) 2.24 4.32 -30.63 3 5 1 79 256.332 4
Lo Low (pH 4.5-6) 2.24 0.46 -27.57 3 5 1 79 256.332 4

Activity (Go SEA)

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