UCSF

ZINC26507457

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 19 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) 2.89 7.65 -34.61 1 4 1 44 259.329 4
Mid Mid (pH 6-8) 2.89 7.25 -7.86 0 4 0 42 258.321 4

Activity (Go SEA)

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