UCSF

ZINC41061152

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 16 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) 2.16 6.35 -31.47 2 2 1 29 257.448 3
Mid Mid (pH 6-8) 2.16 5.64 -4.5 1 2 0 25 256.44 3

Activity (Go SEA)

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