UCSF

ZINC42763177

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 1.97 6.75 -42.74 3 2 1 31 289.365 7
Hi High (pH 8-9.5) 1.97 6.33 -3.2 2 2 0 29 288.357 7

Activity (Go SEA)

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