UCSF

ZINC37140791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 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) -0.27 5.91 -42.3 2 6 1 60 293.391 4
Mid Mid (pH 6-8) -0.27 4.91 -52.14 2 6 1 64 293.391 4

Activity (Go SEA)

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