UCSF

ZINC36641436

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 27 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) 4.52 11.49 -44.67 1 5 1 47 384.525 6
Hi High (pH 8-9.5) 4.52 9.08 -10.75 0 5 0 46 383.517 6

Activity (Go SEA)

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