UCSF

ZINC32141249

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) 0.67 2.03 -11.08 2 5 0 64 288.347 7
Lo Low (pH 4.5-6) 0.67 3.45 -60.59 3 5 1 68 289.355 7
Lo Low (pH 4.5-6) 0.67 2.47 -43.16 3 5 1 65 289.355 7

Activity (Go SEA)

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