UCSF

ZINC49736872

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2010 23 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.57 6.44 -40.36 2 5 1 46 320.457 7
Hi High (pH 8-9.5) 2.57 4.06 -5.96 1 5 0 45 319.449 7
Mid Mid (pH 6-8) 2.57 7.23 -38.06 2 5 1 46 320.457 7

Activity (Go SEA)

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