UCSF

ZINC35055698

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2009 15 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) -1.75 3.25 -49.15 0 5 -1 64 213.257 3
Mid Mid (pH 6-8) -1.75 5.34 -40.87 1 5 0 65 214.265 3

Activity (Go SEA)

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