UCSF

ZINC21021713

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 30 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) 5.03 12.57 -7.82 0 3 0 33 418.537 3
Lo Low (pH 4.5-6) 5.03 13.49 -32.58 1 3 1 34 419.545 3

Activity (Go SEA)

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