UCSF

ZINC44518756

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 21 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) 1.59 5.89 -106.51 5 4 2 64 295.402 6
Hi High (pH 8-9.5) 1.59 4.64 -37.84 4 4 1 60 294.394 6

Activity (Go SEA)

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