UCSF

ZINC55253093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2010 24 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) 3.12 11.28 -39.89 1 4 1 38 332.512 8
Lo Low (pH 4.5-6) 3.12 11.74 -85.44 2 4 2 39 333.52 8

Activity (Go SEA)

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