UCSF

ZINC43628102

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2010 27 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) 2.34 6.95 -104.32 7 6 2 105 384.609 14
Mid Mid (pH 6-8) 2.34 6.65 -50.86 6 6 1 103 383.601 14

Activity (Go SEA)

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