UCSF

ZINC36890208

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 16 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) 1.05 2.93 -15.33 4 5 0 87 238.678 2
Mid Mid (pH 6-8) 1.05 3.4 -30.55 5 5 1 88 239.686 2

Activity (Go SEA)

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