UCSF

ZINC31962938

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 20 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) 1.73 4.16 -56.23 4 5 1 73 271.344 5
Mid Mid (pH 6-8) 1.73 3.78 -13.84 3 5 0 71 270.336 5
Lo Low (pH 4.5-6) 1.73 4.61 -100.71 5 5 2 74 272.352 5

Activity (Go SEA)

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