UCSF

ZINC28241502

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2009 25 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) 3.32 9.66 -44.32 2 4 1 37 336.459 4
Mid Mid (pH 6-8) 3.32 7.19 -11.11 1 4 0 36 335.451 4

Activity (Go SEA)

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