UCSF

ZINC45809049

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2010 23 Yes

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) 3.74 11.87 -32.59 1 3 1 22 320.407 7
Mid Mid (pH 6-8) 3.74 9.73 -6.89 0 3 0 21 319.399 7
Mid Mid (pH 6-8) 3.74 9.97 -29.99 1 3 1 22 320.407 7

Activity (Go SEA)

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