UCSF

ZINC03093841

Substance Information

In ZINC since Heavy atoms Benign functionality
November 6th, 2004 18 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) 3.12 5.64 -11.89 1 4 0 48 249.31 4
Hi High (pH 8-9.5) 2.64 2.54 -6.59 1 4 0 51 249.31 4

Activity (Go SEA)

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