UCSF

ZINC42518886

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 18 No

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) 0.85 5.09 -33.25 1 7 0 91 255.274 7
Mid Mid (pH 6-8) 0.85 5.54 -51.69 2 7 1 92 256.282 7
Mid Mid (pH 6-8) 0.85 2.86 -31.85 0 7 -1 89 254.266 7

Activity (Go SEA)

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