UCSF

ZINC42206679

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 14 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) 1.72 2.81 -43.09 3 3 1 46 213.223 7
Hi High (pH 8-9.5) 1.72 1.45 -5.91 2 3 0 41 212.215 7

Activity (Go SEA)

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