UCSF

ZINC13127529

Substance Information

In ZINC since Heavy atoms Benign functionality
May 29th, 2008 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) 3.17 10.24 -12.16 3 6 0 78 335.411 4
Lo Low (pH 4.5-6) 3.17 10.75 -32.07 4 6 1 79 336.419 4

Activity (Go SEA)

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