UCSF

ZINC07929594

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2006 25 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) 3.07 8.35 -51.08 2 5 1 52 363.865 8
Mid Mid (pH 6-8) 3.07 6.11 -12.3 1 5 0 51 362.857 8

Activity (Go SEA)

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