UCSF

ZINC04065201

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2005 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) 4.74 12.32 -19.62 1 6 0 74 461.558 9
Mid Mid (pH 6-8) 4.86 -1.09 -9.27 0 6 0 74 461.558 9

Activity (Go SEA)

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