UCSF

ZINC28769110

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 40 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) -1.62 4.11 -82.83 7 13 0 204 568.716 15
Hi High (pH 8-9.5) -1.62 3.77 -53.14 6 13 -1 203 567.708 15

Activity (Go SEA)

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