UCSF

ZINC32227833

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 23 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) 3.45 8.17 -42.72 2 4 1 35 313.421 6
Mid Mid (pH 6-8) 3.45 7.67 -48.31 2 4 1 38 313.421 6
Lo Low (pH 4.5-6) 3.45 9.48 -128.01 3 4 2 40 314.429 6

Activity (Go SEA)

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