UCSF

ZINC12462241

Substance Information

In ZINC since Heavy atoms Benign functionality
May 16th, 2008 30 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) 2.85 8.15 -17.03 2 9 0 134 427.438 5
Mid Mid (pH 6-8) 2.85 9.15 -53.09 1 9 -1 137 426.43 5

Activity (Go SEA)

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