UCSF

ZINC37859771

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 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) 0.72 5.7 -173.12 5 4 3 46 260.446 8
Mid Mid (pH 6-8) 0.72 6.23 -94.66 4 4 2 49 259.438 8
Mid Mid (pH 6-8) 0.72 4.61 -75.39 4 4 2 41 259.438 8

Activity (Go SEA)

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