UCSF

ZINC62094219

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2011 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.29 7.62 -12.12 0 5 0 42 354.45 5
Mid Mid (pH 6-8) 2.29 9.67 -40.6 1 5 1 43 355.458 5

Activity (Go SEA)

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