UCSF

ZINC28182453

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 33 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) 4.81 12.43 -40.46 1 6 0 72 446.547 4
Mid Mid (pH 6-8) 4.81 11.64 -52.64 2 6 1 69 447.555 4

Activity (Go SEA)

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