UCSF

ZINC24491969

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2009 21 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) 0.99 4.97 -15.76 1 6 0 73 281.319 2
Lo Low (pH 4.5-6) 0.99 5.41 -48.44 2 6 1 74 282.327 2

Activity (Go SEA)

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