UCSF

ZINC03928699

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2005 37 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) 3.29 16.69 -248.16 0 9 -3 150 500.483 10
Mid Mid (pH 6-8) 3.29 14.5 -126.23 1 9 -2 147 501.491 10
Lo Low (pH 4.5-6) 3.29 14.08 -140.25 1 9 -2 147 501.491 10

Activity (Go SEA)

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