UCSF

ZINC38598955

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 2.25 7.01 -51.12 3 7 1 75 431.944 8
Mid Mid (pH 6-8) 2.25 4.8 -9.32 2 7 0 74 430.936 8

Activity (Go SEA)

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