UCSF

ZINC38003309

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 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) 2.98 7.17 -46.63 2 3 1 43 307.233 7
Hi High (pH 8-9.5) 2.98 5.96 -6.94 1 3 0 38 306.225 7

Activity (Go SEA)

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