UCSF

ZINC43441499

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 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) 1.51 4.91 -12.34 3 6 0 94 291.351 6
Mid Mid (pH 6-8) 1.51 5.16 -35.05 4 6 1 96 292.359 6

Activity (Go SEA)

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