UCSF

ZINC34527494

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 32 No

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) 2.17 7.05 -74.19 3 8 1 100 480.632 10
Hi High (pH 8-9.5) 2.17 5.9 -58.75 1 8 -1 102 478.616 10
Hi High (pH 8-9.5) 2.36 3.83 -59.19 1 8 -1 106 478.616 10
Mid Mid (pH 6-8) 2.17 4.7 -21.79 2 8 0 99 479.624 10

Activity (Go SEA)

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