UCSF

ZINC15779380

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 2.60 10.24 -38.99 1 5 1 37 344.508 3
Mid Mid (pH 6-8) 2.60 7.88 -7.14 0 5 0 35 343.5 3
Mid Mid (pH 6-8) 2.60 12.52 -87.2 2 5 2 38 345.516 3

Activity (Go SEA)

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