UCSF

ZINC28711628

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 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) 1.58 8 -49.54 2 5 1 63 381.834 5
Mid Mid (pH 6-8) 1.58 6.6 -13.31 1 5 0 58 380.826 5

Activity (Go SEA)

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