UCSF

ZINC73368850

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2012 22 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) 2.52 10.3 -44.77 1 3 1 25 319.425 4
Mid Mid (pH 6-8) 2.52 8.21 -11.6 0 3 0 24 318.417 4

Activity (Go SEA)

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