UCSF

ZINC36213566

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 29 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) 2.34 2.87 -18.5 4 9 0 140 433.515 7
Hi High (pH 8-9.5) 2.34 2.52 -51.57 3 9 -1 138 432.507 7

Activity (Go SEA)

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