UCSF

ZINC41470186

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 19 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) 2.18 5.62 -10.23 1 5 0 56 261.325 7
Mid Mid (pH 6-8) 2.18 6.08 -29.74 2 5 1 58 262.333 7

Activity (Go SEA)

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