UCSF

ZINC00157586

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 21 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) 2.68 5.37 -20.39 2 5 0 76 283.283 2
Hi High (pH 8-9.5) 2.68 6.38 -65.32 1 5 -1 78 282.275 2

Activity (Go SEA)

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