UCSF

ZINC43444350

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 13 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 1.13 -6.13 3 3 0 49 180.251 4
Lo Low (pH 4.5-6) 0.73 1.58 -17.88 4 3 0 51 181.259 4

Activity (Go SEA)

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