UCSF

ZINC36667693

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 0.73 5.25 -34.72 2 4 1 43 217.333 10
Hi High (pH 8-9.5) 0.73 3.08 -4.74 1 4 0 42 216.325 10
Mid Mid (pH 6-8) 0.73 4.49 -43.78 2 4 1 46 217.333 10
Mid Mid (pH 6-8) 0.73 6.59 -114.9 3 4 2 47 218.341 10

Activity (Go SEA)

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