UCSF

ZINC35446816

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 20 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) 2.57 7.78 -43.02 2 4 1 42 272.372 4
Lo Low (pH 4.5-6) 2.57 8.14 -100.29 3 4 2 44 273.38 4

Activity (Go SEA)

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