UCSF

ZINC42464527

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 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) 0.71 6.85 -37.32 1 6 0 72 253.302 4
Hi High (pH 8-9.5) 0.71 6.74 -53.25 0 6 -1 70 252.294 4

Activity (Go SEA)

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