UCSF

ZINC36228875

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 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) 2.35 4.54 -46.93 2 4 1 44 258.725 6
Hi High (pH 8-9.5) 2.35 3.18 -5.72 1 4 0 40 257.717 6

Activity (Go SEA)

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