UCSF

ZINC09123677

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 38 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) 3.82 9.47 -61.71 0 9 -1 107 526.606 13
Mid Mid (pH 6-8) 4.27 8.71 -13.9 1 9 0 104 527.614 12

Activity (Go SEA)

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