UCSF

ZINC33820093

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 20 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) -3.94 -7.29 -210.35 4 11 -3 203 315.147 5
Mid Mid (pH 6-8) -3.94 -8.44 -102.65 5 11 -2 200 316.155 5

Activity (Go SEA)

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