UCSF

ZINC31935565

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 13 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) 0.36 3.92 -56.88 3 3 1 45 176.243 2
Lo Low (pH 4.5-6) 0.36 4.37 -95.7 4 3 2 46 177.251 2

Activity (Go SEA)

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