UCSF

ZINC28182450

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2009 34 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) 6.06 13.81 -40.7 1 6 0 72 462.59 10
Mid Mid (pH 6-8) 6.06 13.02 -52.99 2 6 1 69 463.598 10

Activity (Go SEA)

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