UCSF

ZINC35507469

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) -0.80 0.66 -22.4 1 9 0 102 349.391 6
Mid Mid (pH 6-8) -0.80 2.93 -61.28 2 9 1 104 350.399 6

Activity (Go SEA)

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