UCSF

ZINC20521438

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2008 17 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) 0.56 -0.74 -50.24 4 4 1 60 235.307 1
Hi High (pH 8-9.5) 0.56 1.97 -62.11 3 4 0 63 234.299 1
Mid Mid (pH 6-8) 0.56 1.18 -39.68 4 4 1 60 235.307 1
Mid Mid (pH 6-8) 0.56 1.5 -116.75 5 4 2 62 236.315 1

Activity (Go SEA)

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