UCSF

ZINC32129096

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 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) 0.75 6.7 -46.9 3 4 1 61 284.383 5
Lo Low (pH 4.5-6) 0.75 7.14 -91.39 4 4 2 62 285.391 5

Activity (Go SEA)

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