UCSF

ZINC31914251

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 23 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) 3.57 7.05 -12.29 1 5 0 56 310.353 3
Mid Mid (pH 6-8) 3.57 7.47 -32.79 2 5 1 57 311.361 3

Activity (Go SEA)

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