UCSF

ZINC43260694

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 20 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) 3.84 9.15 -134.13 4 2 2 32 355.345 7
Hi High (pH 8-9.5) 3.84 6.96 -3.04 2 2 0 29 353.329 7
Mid Mid (pH 6-8) 3.84 7.19 -54.55 3 2 1 31 354.337 7

Activity (Go SEA)

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