UCSF

ZINC62180297

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2011 23 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) 3.34 7.77 -7.79 0 4 0 33 318.461 6
Mid Mid (pH 6-8) 3.34 9.98 -43.74 1 4 1 34 319.469 6

Activity (Go SEA)

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