UCSF

ZINC42405069

Substance Information

In ZINC since Heavy atoms Benign functionality
April 27th, 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) 0.26 3.22 -48.17 3 2 1 37 200.208 2
Hi High (pH 8-9.5) 0.26 2.91 -5.19 2 2 0 35 199.2 2

Activity (Go SEA)

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