UCSF

ZINC37859701

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 15 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) 0.12 0.48 -97.63 5 4 2 61 218.341 7
Mid Mid (pH 6-8) 0.12 1.05 -40.26 4 4 1 64 217.333 7

Activity (Go SEA)

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