UCSF

ZINC44679394

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 17 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) 1.06 3.74 -39.51 4 3 1 46 232.351 4
Hi High (pH 8-9.5) 1.06 2.53 -2.73 3 3 0 41 231.343 4
Lo Low (pH 4.5-6) 1.06 4.87 -32.39 4 3 1 42 232.351 4

Activity (Go SEA)

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