UCSF

ZINC37823044

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 17 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) -2.36 0.24 -85.97 5 7 2 96 241.295 5
Hi High (pH 8-9.5) -2.36 -0.61 -17.33 3 7 0 93 239.279 5
Mid Mid (pH 6-8) -2.36 -0.2 -53.3 4 7 1 95 240.287 5

Activity (Go SEA)

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