UCSF

ZINC02925417

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2004 24 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) 3.05 7.74 -49.69 1 5 -1 70 364.516 5
Mid Mid (pH 6-8) 2.59 9.1 -17.36 2 5 0 67 365.524 5

Activity (Go SEA)

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