UCSF

ZINC78002537

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2012 18 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) 2.99 7.94 -32.8 2 2 1 29 245.39 3
Hi High (pH 8-9.5) 2.99 6.91 -2.65 1 2 0 25 244.382 3

Activity (Go SEA)

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