UCSF

ZINC34671086

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2009 20 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) 6.06 11.88 -39.54 2 1 1 17 288.48 8
Hi High (pH 8-9.5) 6.06 10.53 -3.17 1 1 0 12 287.472 8

Activity (Go SEA)

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