UCSF

ZINC37978093

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 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) 1.85 6.39 -47.43 3 5 1 64 289.403 7
Mid Mid (pH 6-8) 1.85 5.74 -32.72 3 5 1 60 289.403 7
Mid Mid (pH 6-8) 1.85 5.23 -13.96 2 5 0 59 288.395 7
Lo Low (pH 4.5-6) 1.85 6.9 -108.59 4 5 2 65 290.411 7

Activity (Go SEA)

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