UCSF

ZINC36782239

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 19 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) 2.87 7.33 -43.58 3 3 1 46 281.807 7
Hi High (pH 8-9.5) 2.87 6.14 -8.68 2 3 0 41 280.799 7

Activity (Go SEA)

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