UCSF

ZINC42802296

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 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) 3.90 7.76 -49.68 1 4 -1 61 290.726 5
Lo Low (pH 4.5-6) 3.90 5.77 -7.4 2 4 0 59 291.734 5

Activity (Go SEA)

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