UCSF

ZINC11570032

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 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) 3.62 -0.79 -49.24 3 3 1 45 266.368 2
Mid Mid (pH 6-8) 3.62 -0.59 -98.29 4 3 2 46 267.376 2

Activity (Go SEA)

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