UCSF

ZINC37129054

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 19 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) 3.46 7.41 -44.31 3 3 1 45 323.258 4
Hi High (pH 8-9.5) 3.46 6.35 -6.09 2 3 0 41 322.25 4

Activity (Go SEA)

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