UCSF

ZINC28649326

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2009 21 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) 3.30 6.27 -8.58 1 3 0 41 298.773 1
Lo Low (pH 4.5-6) 3.30 6.92 -29.58 2 3 1 43 299.781 1

Activity (Go SEA)

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