UCSF

ZINC34957074

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 1.46 8.34 -48.57 0 6 -1 104 265.252 4
Lo Low (pH 4.5-6) 1.46 8.79 -42.65 1 6 0 105 266.26 4

Activity (Go SEA)

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