UCSF

ZINC49878676

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 26 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) 7.34 8.38 -9.8 3 5 0 87 366.498 15
Hi High (pH 8-9.5) 7.34 9.29 -42.07 2 5 -1 90 365.49 15

Activity (Go SEA)

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