UCSF

ZINC04666906

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2005 26 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) 2.81 10.18 -50.55 2 5 1 65 350.373 5
Hi High (pH 8-9.5) 2.81 8.8 -11.1 1 5 0 60 349.365 5

Activity (Go SEA)

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