UCSF

ZINC38693630

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 33 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) 5.67 9.14 -55.09 0 6 -1 86 487.598 7
Mid Mid (pH 6-8) 5.67 9.02 -14.05 1 6 0 84 488.606 7

Activity (Go SEA)

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