UCSF

ZINC37822710

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 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) -0.50 3.72 -48.58 3 4 1 61 222.312 6
Lo Low (pH 4.5-6) -0.50 4.18 -88.03 4 4 2 62 223.32 6

Activity (Go SEA)

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