UCSF

ZINC33809170

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 13 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) 2.65 6.84 -34.07 1 2 1 14 200.689 4
Hi High (pH 8-9.5) 2.65 4.24 -5.01 0 2 0 12 199.681 4

Activity (Go SEA)

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