UCSF

ZINC35390159

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 1.17 5.28 -50.19 2 5 -1 85 292.142 4
Hi High (pH 8-9.5) 1.17 4.82 -99.82 1 5 -2 83 291.134 4

Activity (Go SEA)

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