UCSF

ZINC08178770

Substance Information

In ZINC since Heavy atoms Benign functionality
July 3rd, 2006 31 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) 3.26 -1.36 -21.11 0 6 0 71 413.477 6
Mid Mid (pH 6-8) 3.26 -0.42 -50.25 1 6 1 73 414.485 6

Activity (Go SEA)

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