UCSF

ZINC20138062

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2008 37 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) 1.85 11.46 -47.7 1 8 -1 108 503.506 7
Mid Mid (pH 6-8) 1.85 13.2 -53.37 2 8 0 113 504.514 7

Activity (Go SEA)

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