UCSF

ZINC26673625

Substance Information

In ZINC since Heavy atoms Benign functionality
February 8th, 2009 15 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) 1.47 6.68 -10.04 2 4 0 57 202.261 2
Lo Low (pH 4.5-6) 1.47 7.14 -29.47 3 4 1 58 203.269 2

Activity (Go SEA)

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