UCSF

ZINC35409848

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 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) 0.28 3.99 -58.45 2 5 -1 89 222.22 4
Hi High (pH 8-9.5) 0.28 5.08 -125.46 1 5 -2 92 221.212 4

Activity (Go SEA)

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