UCSF

ZINC32108277

Substance Information

In ZINC since Heavy atoms Benign functionality
April 23rd, 2009 18 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) -0.07 1.41 -119.11 5 5 2 71 256.346 7
Mid Mid (pH 6-8) -0.07 -0.03 -41.83 4 5 1 66 255.338 7

Activity (Go SEA)

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