UCSF

ZINC49737642

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) 3.12 7.9 -38.88 2 4 1 37 318.485 6
Hi High (pH 8-9.5) 3.12 5.51 -8.97 1 4 0 36 317.477 6
Mid Mid (pH 6-8) 3.12 8.14 -42.37 2 4 1 37 318.485 6

Activity (Go SEA)

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