UCSF

ZINC32086855

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.19 4.17 -55.68 3 5 1 59 325.473 13
Mid Mid (pH 6-8) 2.19 6.2 -128.71 4 5 2 60 326.481 13

Activity (Go SEA)

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