UCSF

ZINC09380143

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 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) 4.14 9.58 -62.46 0 9 -1 107 526.606 14
Mid Mid (pH 6-8) 4.58 8.56 -30.27 1 9 0 104 527.614 13

Activity (Go SEA)

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