UCSF

ZINC34948867

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 34 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) 4.69 12.3 -9.19 3 9 0 108 464.57 8
Mid Mid (pH 6-8) 4.69 14.6 -41.37 4 9 1 109 465.578 8

Activity (Go SEA)

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