UCSF

ZINC59464837

Substance Information

In ZINC since Heavy atoms Benign functionality
March 5th, 2011 12 No

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) -4.09 0.44 -34.58 2 4 1 46 172.252 1
Mid Mid (pH 6-8) -4.29 -0.34 -21.21 1 4 0 50 171.244 2

Activity (Go SEA)

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