UCSF

ZINC32121033

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 19 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) 3.54 7.7 -8.31 1 3 0 34 274.389 4
Lo Low (pH 4.5-6) 3.54 8.07 -27.09 2 3 1 35 275.397 4

Activity (Go SEA)

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