UCSF

ZINC49968555

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2010 21 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) 2.94 5.89 -44.85 3 4 1 49 287.383 7
Hi High (pH 8-9.5) 2.94 5.49 -7.35 2 4 0 48 286.375 7
Lo Low (pH 4.5-6) 2.94 6.29 -121.04 4 4 0 51 288.391 7

Activity (Go SEA)

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