UCSF

ZINC04112680

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2005 39 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) 7.93 15.99 -19.01 1 6 0 74 529.677 9
Mid Mid (pH 6-8) 8.05 14.34 -8.22 0 6 0 74 529.677 9

Activity (Go SEA)

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