UCSF

ZINC58442755

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2011 23 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) 3.74 8.48 -48.42 3 4 1 54 313.421 7
Hi High (pH 8-9.5) 3.74 6.16 -10.84 2 4 0 53 312.413 7

Activity (Go SEA)

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