UCSF

ZINC44608691

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 12 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) -0.57 0.13 -44.95 3 3 1 44 186.304 4
Lo Low (pH 4.5-6) -0.57 2.51 -113.47 4 3 2 45 187.312 4

Activity (Go SEA)

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