UCSF

ZINC38538740

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 15 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) 1.77 3.41 -46.04 3 2 1 31 225.743 2
Lo Low (pH 4.5-6) 1.77 5.89 -120.19 4 2 2 32 226.751 2

Activity (Go SEA)

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