UCSF

ZINC34039003

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2009 37 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) 7.26 15.58 -39.76 2 4 1 39 509.592 8
Hi High (pH 8-9.5) 7.26 13.38 -9.03 1 4 0 38 508.584 8

Activity (Go SEA)

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