UCSF

ZINC39379085

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 22 No

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) 4.70 8.33 -10.07 0 3 0 34 333.218 3
Mid Mid (pH 6-8) 4.70 9.27 -31.61 1 3 1 36 334.226 3

Activity (Go SEA)

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