UCSF

ZINC35660294

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 1.03 4.72 -44.32 3 4 1 61 239.339 5
Hi High (pH 8-9.5) 1.03 4.46 -10.03 2 4 0 59 238.331 5

Activity (Go SEA)

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