UCSF

ZINC28824328

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 27 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) 2.73 11.14 -15.33 3 9 0 104 371.445 8
Lo Low (pH 4.5-6) 2.73 11.5 -33.73 4 9 1 106 372.453 8

Activity (Go SEA)

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