UCSF

ZINC34957187

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 20 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) 3.13 3.55 -50.05 2 4 -1 74 334.179 3
Lo Low (pH 4.5-6) 3.13 3.01 -11.79 3 4 0 72 335.187 3

Activity (Go SEA)

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