UCSF

ZINC36883938

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.69 4.39 -46.79 3 4 1 47 247.366 4
Mid Mid (pH 6-8) 0.69 4.73 -86.96 4 4 2 48 248.374 4
Mid Mid (pH 6-8) 0.69 6.25 -127.89 4 4 2 48 248.374 4
Lo Low (pH 4.5-6) 0.69 6.53 -197.6 5 4 3 49 249.382 4

Activity (Go SEA)

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