UCSF

ZINC34674557

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 16 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) 0.70 6.8 -42.04 1 4 1 49 226.344 7
Hi High (pH 8-9.5) 0.70 5.02 -11.73 0 4 0 47 225.336 7

Activity (Go SEA)

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