UCSF

ZINC37812683

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2009 17 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) 0.60 4.07 -45.94 2 4 1 37 256.395 1
Mid Mid (pH 6-8) 0.60 5.14 -98.06 3 4 2 41 257.403 1
Mid Mid (pH 6-8) 0.60 2.88 -39.82 2 4 1 40 256.395 1
Mid Mid (pH 6-8) 0.60 1.82 -9.29 1 4 0 36 255.387 1

Activity (Go SEA)

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