UCSF

ZINC09243932

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 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) 2.81 8.65 -64.19 0 9 -1 107 508.547 12
Mid Mid (pH 6-8) 3.25 7.88 -20.06 1 9 0 104 509.555 11

Activity (Go SEA)

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