UCSF

ZINC60080364

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 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) 3.17 10.42 -45.56 2 3 1 44 308.449 3
Mid Mid (pH 6-8) 3.17 8.56 -8.14 1 3 0 43 307.441 3

Activity (Go SEA)

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