UCSF

ZINC37825384

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 11 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) -2.80 -4.74 -41.58 5 5 1 88 163.197 5
Hi High (pH 8-9.5) -2.80 -5.14 -13.25 4 5 0 87 162.189 5

Activity (Go SEA)

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