UCSF

ZINC00638689

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 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) 3.88 8.23 -41.17 2 3 1 28 361.918 1
Mid Mid (pH 6-8) 3.88 5.76 -6.91 1 3 0 27 360.91 1
Mid Mid (pH 6-8) 3.88 7.37 -36.7 2 3 1 28 361.918 1

Activity (Go SEA)

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