UCSF

ZINC35895422

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 25 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) 3.04 5.71 -9.95 2 5 0 101 349.825 1
Lo Low (pH 4.5-6) 3.04 5.51 -46.37 3 5 1 102 350.833 1

Activity (Go SEA)

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