UCSF

ZINC26481404

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 16 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) 1.11 -1.27 -54.56 2 5 -1 96 241.292 2
Lo Low (pH 4.5-6) 1.48 0.52 -15.45 3 5 0 89 242.3 2

Activity (Go SEA)

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