UCSF

ZINC27664560

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 34 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) 1.69 4.58 -26.21 4 9 0 134 455.474 7
Hi High (pH 8-9.5) 1.69 5.56 -47.74 3 9 -1 137 454.466 7

Activity (Go SEA)

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