UCSF

ZINC18062988

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2008 31 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) 2.48 9.61 -53.35 0 8 -1 119 414.397 6
Lo Low (pH 4.5-6) 2.48 8.78 -16.65 1 8 0 116 415.405 6

Activity (Go SEA)

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