UCSF

ZINC09464648

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 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) 2.92 10.38 -61.07 0 9 -1 107 516.526 8
Mid Mid (pH 6-8) 3.36 8.76 -30.9 1 9 0 104 517.534 7

Activity (Go SEA)

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