UCSF

ZINC36152140

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 18 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) 2.06 5.41 -52.08 3 4 1 62 264.374 2
Hi High (pH 8-9.5) 2.06 3.96 -9.48 2 4 0 58 263.366 2

Activity (Go SEA)

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