UCSF

ZINC44609230

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2010 14 No

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) -0.13 1.85 -12.4 2 3 0 42 229.374 4
Lo Low (pH 4.5-6) -0.13 3.56 -37.97 3 3 1 43 230.382 4

Activity (Go SEA)

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