UCSF

ZINC48580461

Substance Information

In ZINC since Heavy atoms Benign functionality
September 17th, 2010 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) 3.63 6.17 -12.83 1 4 0 51 304.147 2
Hi High (pH 8-9.5) 3.63 5.75 -42.73 0 4 -1 49 303.139 2

Activity (Go SEA)

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