UCSF

ZINC08926858

Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 31 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) 4.47 10.75 -57.29 0 5 -1 70 434.899 7
Mid Mid (pH 6-8) 4.92 9.72 -27.87 1 5 0 67 435.907 6
Mid Mid (pH 6-8) 3.89 10.7 -19.72 0 5 0 64 435.907 7

Activity (Go SEA)

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