UCSF

ZINC35622432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 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) 3.21 7.5 -37.68 2 5 1 60 286.403 4
Hi High (pH 8-9.5) 3.21 6.25 -8.13 1 5 0 56 285.395 4

Activity (Go SEA)

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