UCSF

ZINC31157781

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 26 No

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) 3.27 8.75 -56.84 2 5 1 54 392.829 6
Hi High (pH 8-9.5) 3.27 6.51 -19.5 1 5 0 53 391.821 6

Activity (Go SEA)

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