UCSF

ZINC53148625

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2010 19 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) 3.10 4.83 -49.09 3 3 1 46 276.743 3
Mid Mid (pH 6-8) 3.10 3.67 -7.26 2 3 0 41 275.735 3

Activity (Go SEA)

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