UCSF

ZINC32053595

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 21 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) -2.07 -0.26 -97.47 5 7 2 86 299.419 6
Mid Mid (pH 6-8) -2.07 -1.63 -48.81 4 7 1 81 298.411 6

Activity (Go SEA)

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