UCSF

ZINC43260710

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) 3.87 9.22 -126.14 4 2 2 32 355.345 6
Hi High (pH 8-9.5) 3.87 6.43 -2.88 2 2 0 29 353.329 6
Mid Mid (pH 6-8) 3.87 7.17 -49.88 3 2 1 31 354.337 6

Activity (Go SEA)

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