UCSF

ZINC42834669

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 46 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) 6.05 16.29 -120 3 8 2 76 626.794 11
Mid Mid (pH 6-8) 6.05 15.02 -52.79 2 8 1 72 625.786 11
Mid Mid (pH 6-8) 6.05 14.42 -60.11 2 8 1 75 625.786 11
Mid Mid (pH 6-8) 6.05 13.15 -16.4 1 8 0 71 624.778 11

Activity (Go SEA)

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