UCSF

ZINC44510496

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 2.10 8.42 -11.76 1 4 0 47 322.455 3
Hi High (pH 8-9.5) 2.56 7.13 -42.05 0 4 -1 50 321.447 3

Activity (Go SEA)

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