UCSF

ZINC70516942

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 2.33 2.39 -40.78 3 5 1 65 284.376 10
Hi High (pH 8-9.5) 2.33 1.36 -7.18 2 5 0 60 283.368 10

Activity (Go SEA)

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