UCSF

ZINC36889679

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 14 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) 2.83 7.48 -8.11 2 3 0 44 209.68 2
Mid Mid (pH 6-8) 2.83 7.95 -28.59 3 3 1 45 210.688 2

Activity (Go SEA)

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