UCSF

ZINC44680717

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 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) -0.19 2.43 -104.32 4 5 2 67 275.418 4
Hi High (pH 8-9.5) -0.19 0.05 -54.95 3 5 1 66 274.41 4

Activity (Go SEA)

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