UCSF

ZINC37823127

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) -0.33 3.44 -9.03 3 4 0 67 282.343 2
Mid Mid (pH 6-8) -0.33 3.76 -46.82 4 4 1 68 283.351 2

Activity (Go SEA)

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