UCSF

ZINC49633280

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 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) 2.34 8.82 -39.42 1 3 1 31 222.308 6
Hi High (pH 8-9.5) 2.34 6.58 -6.44 0 3 0 30 221.3 6

Activity (Go SEA)

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