UCSF

ZINC42427840

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 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) 1.08 7.22 -165.85 5 3 3 37 242.431 6
Hi High (pH 8-9.5) 1.08 4.98 -81.97 4 3 2 35 241.423 6
Mid Mid (pH 6-8) 1.08 4.76 -92.47 4 3 2 35 241.423 6

Activity (Go SEA)

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