UCSF

ZINC12231914

Substance Information

In ZINC since Heavy atoms Benign functionality
April 5th, 2008 25 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) 0.70 0.13 -9.81 1 9 0 100 346.391 5
Mid Mid (pH 6-8) 0.70 0.32 -33.63 2 9 1 101 347.399 5

Activity (Go SEA)

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