UCSF

ZINC42205351

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 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) -0.09 2.71 -104.55 4 5 2 59 233.356 10
Hi High (pH 8-9.5) -0.09 1.36 -39.28 3 5 1 55 232.348 10
Mid Mid (pH 6-8) -0.09 0.23 -43.93 3 5 1 58 232.348 10

Activity (Go SEA)

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