UCSF

ZINC44622093

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 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) -1.13 1.43 -47.92 0 5 -1 56 229.3 6
Lo Low (pH 4.5-6) -1.13 6.2 -93.41 2 5 1 58 231.316 6
Lo Low (pH 4.5-6) -1.13 3.88 -48.65 1 5 0 57 230.308 6

Activity (Go SEA)

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