UCSF

ZINC44813777

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 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) 1.12 4.27 -9.84 1 4 0 66 217.272 5
Lo Low (pH 4.5-6) 1.12 4.72 -41.69 2 4 1 67 218.28 5

Activity (Go SEA)

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