UCSF

ZINC44847732

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 18 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) 1.28 5.64 -40.17 4 4 1 60 274.454 8
Hi High (pH 8-9.5) 1.47 4.47 -27.63 3 4 0 66 273.446 8

Activity (Go SEA)

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