UCSF

ZINC21810661

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 21 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) 3.99 7.7 -31.66 2 3 0 43 325.239 5
Hi High (pH 8-9.5) 3.99 6.22 -38.99 1 3 -1 38 324.231 5
Hi High (pH 8-9.5) 3.99 5.56 -5.67 2 3 0 35 325.239 5
Mid Mid (pH 6-8) 3.99 7.04 -43.31 3 3 1 40 326.247 5

Activity (Go SEA)

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