UCSF

ZINC32055567

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 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) 2.54 3.84 -46.02 4 3 1 51 289.443 3
Hi High (pH 8-9.5) 2.54 6.18 -50.5 3 3 0 54 288.435 3
Hi High (pH 8-9.5) 2.54 6.37 -141.7 4 3 1 55 289.443 3
Hi High (pH 8-9.5) 2.54 5.55 -31.09 4 3 1 51 289.443 3

Activity (Go SEA)

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