UCSF

ZINC34521330

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 16 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) 2.34 5.23 -5.33 2 3 0 52 225.263 5
Mid Mid (pH 6-8) 2.34 5.48 -44.93 3 3 1 54 226.271 5

Activity (Go SEA)

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