UCSF

ZINC09235200

Substance Information

In ZINC since Heavy atoms Benign functionality
August 15th, 2007 26 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) 2.94 5.03 -42.61 1 10 -1 150 425.171 7
Mid Mid (pH 6-8) 2.94 4.82 -61.21 1 10 -1 150 425.171 7
Mid Mid (pH 6-8) 2.48 6.7 -28.4 2 10 0 147 426.179 7

Activity (Go SEA)

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