UCSF

ZINC35685988

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 30 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) 5.69 9.12 -40.59 0 8 -1 113 468.294 7
Mid Mid (pH 6-8) 5.69 9.04 -14.81 1 8 0 110 469.302 7

Activity (Go SEA)

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