UCSF

ZINC62850957

Substance Information

In ZINC since Heavy atoms Benign functionality
May 15th, 2011 18 Yes

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) 3.16 8.49 -99.82 3 2 2 21 333.339 5
Mid Mid (pH 6-8) 3.16 8.27 -38.85 2 2 1 20 332.331 5

Activity (Go SEA)

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