UCSF

ZINC32021248

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 15 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) -1.02 1.21 -51.33 3 5 1 66 214.289 4
Mid Mid (pH 6-8) -1.02 -0.17 -10.11 2 5 0 61 213.281 4

Activity (Go SEA)

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