UCSF

ZINC35628921

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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) 3.51 6.37 -33.18 3 3 1 37 277.432 4
Lo Low (pH 4.5-6) 3.51 7.24 -104.5 4 3 2 41 278.44 4

Activity (Go SEA)

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