UCSF

ZINC36868800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 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) 1.24 4.45 -43.84 2 6 1 73 278.38 6
Hi High (pH 8-9.5) 1.24 3.24 -10.25 1 6 0 69 277.372 6

Activity (Go SEA)

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