UCSF

ZINC38589233

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) 1.74 6.56 -52.21 3 7 1 75 415.489 8
Mid Mid (pH 6-8) 1.74 4.34 -10.06 2 7 0 74 414.481 8

Activity (Go SEA)

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