UCSF

ZINC49545457

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 17 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) 2.58 8.5 -107.03 3 3 2 36 237.391 5
Hi High (pH 8-9.5) 2.58 6.87 -5.4 1 3 0 30 235.375 5
Mid Mid (pH 6-8) 2.58 8.04 -41.08 2 3 1 34 236.383 5

Activity (Go SEA)

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