UCSF

ZINC37241056

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 17 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) 2.03 5.63 -30.02 2 3 1 26 235.351 5
Lo Low (pH 4.5-6) 2.03 6.81 -105.79 3 3 2 30 236.359 5

Activity (Go SEA)

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