UCSF

ZINC34975956

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) 2.72 3.3 -8.22 2 3 0 52 226.638 1
Lo Low (pH 4.5-6) 2.72 3.23 -26.31 3 3 1 53 227.646 1

Activity (Go SEA)

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