UCSF

ZINC09302131

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2007 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) 3.25 10.5 -76.04 1 9 0 102 512.603 13
Mid Mid (pH 6-8) 3.69 10.27 -47.66 2 9 1 99 513.611 12

Activity (Go SEA)

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