UCSF

ZINC41686426

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 2.81 8.82 -33.25 1 3 1 21 287.225 6
Hi High (pH 8-9.5) 2.81 6.35 -4.03 0 3 0 19 286.217 6

Activity (Go SEA)

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