UCSF

ZINC32229976

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) 4.92 9.84 -5.04 1 2 0 21 313.416 7
Mid Mid (pH 6-8) 4.92 11.25 -52.34 2 2 1 26 314.424 7

Activity (Go SEA)

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