UCSF

ZINC32178664

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2009 22 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) 5.52 11.32 -43.06 2 2 1 26 298.45 7
Hi High (pH 8-9.5) 5.52 9.9 -3.85 1 2 0 21 297.442 7

Activity (Go SEA)

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