UCSF

ZINC36827124

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 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) 1.65 5.81 -35.23 4 4 1 68 259.377 2
Hi High (pH 8-9.5) 1.65 6.87 -6.08 3 4 0 66 258.369 2

Activity (Go SEA)

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