UCSF

ZINC35151112

Substance Information

In ZINC since Heavy atoms Benign functionality
October 4th, 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) 2.08 6.39 -46.58 2 4 1 44 280.388 7
Hi High (pH 8-9.5) 2.08 4.98 -7.28 1 4 0 40 279.38 7

Activity (Go SEA)

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