UCSF

ZINC08817002

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 34 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) 2.70 7.24 -60.89 0 8 -1 95 465.526 10
Mid Mid (pH 6-8) 2.12 0.58 -51.56 1 8 1 90 467.542 10
Mid Mid (pH 6-8) 2.70 9.57 -73.22 1 8 0 96 466.534 10

Activity (Go SEA)

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