UCSF

ZINC37812684

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 4.05 -45.81 2 4 1 37 256.395 1
Mid Mid (pH 6-8) 0.60 5.23 -97.19 3 4 2 41 257.403 1
Mid Mid (pH 6-8) 0.60 2.96 -40.48 2 4 1 40 256.395 1
Mid Mid (pH 6-8) 0.60 1.79 -9.28 1 4 0 36 255.387 1

Activity (Go SEA)

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