UCSF

ZINC45966817

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 26 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) 2.54 7.23 -11.79 1 5 0 53 422.367 5
Mid Mid (pH 6-8) 2.54 8.52 -55.09 2 5 1 57 423.375 5

Activity (Go SEA)

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