UCSF

ZINC40950317

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 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) 2.98 6.86 -43.74 2 3 1 35 288.342 4
Hi High (pH 8-9.5) 2.98 5.85 -5.28 1 3 0 30 287.334 4

Activity (Go SEA)

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