UCSF

ZINC32208483

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 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) 3.17 5.6 -52.99 3 4 1 55 308.785 7
Hi High (pH 8-9.5) 3.17 4.12 -11.79 2 4 0 51 307.777 7
Hi High (pH 8-9.5) 3.17 6.54 -75.64 2 4 0 58 307.777 7

Activity (Go SEA)

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