UCSF

ZINC39948787

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2010 36 No

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) 3.59 9.03 -30.26 4 12 1 151 490.548 7
Hi High (pH 8-9.5) 3.59 6.82 -10.95 3 12 0 150 489.54 7

Activity (Go SEA)

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