UCSF

ZINC35388875

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 15 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) -0.78 3.59 -40.13 3 5 0 86 214.265 5
Hi High (pH 8-9.5) -0.78 2.36 -50.96 2 5 -1 81 213.257 5

Activity (Go SEA)

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