UCSF

ZINC37228676

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 4.38 8.52 -37.73 2 2 1 16 322.687 5
Hi High (pH 8-9.5) 4.38 7.3 -46.09 2 2 1 20 322.687 5

Activity (Go SEA)

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