UCSF

ZINC26832066

Substance Information

In ZINC since Heavy atoms Benign functionality
February 10th, 2009 32 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) 0.26 3.44 -66.32 4 10 1 141 461.52 7
Mid Mid (pH 6-8) 0.26 3.12 -26.53 3 10 0 139 460.512 7

Activity (Go SEA)

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