UCSF

ZINC38003945

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 18 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) 4.14 7.74 -8.64 1 3 0 46 283.158 2
Hi High (pH 8-9.5) 4.60 6.28 -46.94 0 3 -1 49 282.15 2

Activity (Go SEA)

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