UCSF

ZINC36814592

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 3.63 6.87 -38.26 2 4 1 44 315.224 5
Hi High (pH 8-9.5) 3.63 5.5 -4.32 1 4 0 39 314.216 5

Activity (Go SEA)

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