UCSF

ZINC35332156

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2009 21 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) 1.66 1.67 -14.28 5 6 0 115 304.375 5
Hi High (pH 8-9.5) 2.11 -0.24 -51.69 4 6 -1 118 303.367 5

Activity (Go SEA)

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