UCSF

ZINC09008228

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 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) 2.72 6.62 -58.59 0 8 -1 91 465.526 9
Mid Mid (pH 6-8) 3.17 9.15 -49.82 2 8 1 90 467.542 8
Mid Mid (pH 6-8) 2.72 8.95 -74.49 1 8 0 93 466.534 9

Activity (Go SEA)

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