UCSF

ZINC35860919

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 32 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) 3.01 10.42 -22.71 0 6 0 53 435.568 5
Mid Mid (pH 6-8) 3.01 12.83 -63.26 1 6 1 54 436.576 5

Activity (Go SEA)

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