UCSF

ZINC37824053

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 0.92 4.65 -87.37 4 5 2 56 300.491 8
Mid Mid (pH 6-8) 0.92 4.32 -38.19 3 5 1 54 299.483 8
Lo Low (pH 4.5-6) 0.92 7.12 -172.39 5 5 3 57 301.499 8
Lo Low (pH 4.5-6) 0.92 4.73 -96.29 4 5 2 56 300.491 8

Activity (Go SEA)

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