UCSF

ZINC37105208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 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) 5.19 6.55 -6.59 2 3 0 41 468.516 4
Hi High (pH 8-9.5) 5.19 7.46 -41.98 1 3 -1 44 467.508 4

Activity (Go SEA)

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