UCSF

ZINC42434660

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 16 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) 0.61 4.08 -11.5 2 6 0 78 219.248 2
Lo Low (pH 4.5-6) 0.61 4.32 -30.23 3 6 1 79 220.256 2

Activity (Go SEA)

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