UCSF

ZINC04786553

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 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) 6.23 14.8 -19.98 1 6 0 82 469.553 6
Mid Mid (pH 6-8) 6.34 13.48 -8.67 0 6 0 82 469.553 6
Mid Mid (pH 6-8) 6.34 14.24 -15.94 0 6 0 82 469.553 6
Mid Mid (pH 6-8) 6.18 13.54 -9.26 0 6 0 82 469.553 6

Activity (Go SEA)

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