UCSF

ZINC32025598

Substance Information

In ZINC since Heavy atoms Benign functionality
April 19th, 2009 17 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) -2.49 2.94 -74.15 2 6 0 85 244.291 6
Hi High (pH 8-9.5) -2.49 0.43 -63.11 1 6 -1 84 243.283 6

Activity (Go SEA)

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