UCSF

ZINC09312049

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 35 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) 3.79 12.89 -75.32 1 9 0 120 481.549 10
Mid Mid (pH 6-8) 3.20 2.42 -53.14 1 9 1 113 482.557 10

Activity (Go SEA)

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