UCSF

ZINC06855102

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2006 13 Yes

Download: MOL2 SDF SMILES Flexibase

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) -1.27 2.36 -98.41 4 4 2 52 185.271 2
Mid Mid (pH 6-8) -1.27 1.96 -40.55 3 4 1 51 184.263 2

Activity (Go SEA)

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