UCSF

ZINC21876743

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 36 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) 0.65 6.03 -50.89 3 10 1 104 500.599 8
Hi High (pH 8-9.5) 0.65 3.57 -17.27 2 10 0 103 499.591 8
Mid Mid (pH 6-8) 0.65 5.89 -54.16 3 10 1 104 500.599 8

Activity (Go SEA)

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