UCSF

ZINC09272945

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 30 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 10.2 -38.2 0 6 -1 79 428.892 8
Mid Mid (pH 6-8) 4.59 0.45 -28.69 1 6 0 76 429.9 7
Mid Mid (pH 6-8) 3.56 0.72 -21.8 0 6 0 72 429.9 8

Activity (Go SEA)

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