UCSF

ZINC42818352

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 0.65 4.53 -46.46 2 5 1 63 255.338 5
Hi High (pH 8-9.5) 0.65 3.26 -7.73 1 5 0 59 254.33 5

Activity (Go SEA)

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