UCSF

ZINC36200125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 20 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) -0.98 4.58 -36.54 3 5 1 66 281.376 9
Hi High (pH 8-9.5) -0.98 4.23 -10.88 2 5 0 65 280.368 9

Activity (Go SEA)

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