UCSF

ZINC15769543

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2008 20 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) 2.56 7.16 -34.9 3 2 1 37 268.38 2
Mid Mid (pH 6-8) 2.56 6.39 -3.42 2 2 0 32 267.372 2

Activity (Go SEA)

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