UCSF

ZINC37859807

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) 0.55 4.2 -111.23 4 4 2 54 251.374 6
Mid Mid (pH 6-8) 0.55 4.74 -45.7 3 4 1 57 250.366 6

Activity (Go SEA)

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