UCSF

ZINC32157942

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) 0.85 1.79 -51.72 3 5 1 59 295.403 8
Hi High (pH 8-9.5) 0.85 0.3 -6.93 2 5 0 54 294.395 8
Lo Low (pH 4.5-6) 0.85 2.62 -41.18 3 5 1 55 295.403 8

Activity (Go SEA)

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