UCSF

ZINC36443451

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 29 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) -0.09 9.28 -108.33 3 7 0 102 403.454 6
Mid Mid (pH 6-8) -2.83 7.24 -84.83 4 7 1 105 404.462 5

Activity (Go SEA)

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