UCSF

ZINC42580399

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 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) 2.02 7.74 -106.88 3 3 2 36 223.364 4
Hi High (pH 8-9.5) 2.02 6.09 -5.34 1 3 0 30 221.348 4
Mid Mid (pH 6-8) 2.02 7.29 -40.51 2 3 1 34 222.356 4

Activity (Go SEA)

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