UCSF

ZINC42101075

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 17 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) 3.36 8.03 -45.75 1 3 0 54 229.279 1
Mid Mid (pH 6-8) 3.36 7.64 -51.39 0 3 -1 53 228.271 1

Activity (Go SEA)

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