UCSF

ZINC34939018

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) 2.43 3.46 -56.89 2 5 -1 87 326.81 4
Lo Low (pH 4.5-6) 2.60 3.95 -23.78 3 5 0 88 327.818 3

Activity (Go SEA)

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