UCSF

ZINC35207432

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 0.11 2.55 -13.02 1 6 0 79 280.353 4
Lo Low (pH 4.5-6) 0.11 3.01 -41.36 2 6 1 80 281.361 4

Activity (Go SEA)

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