UCSF

ZINC42253262

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 18 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) 4.27 6.71 -9.41 2 3 0 49 247.338 3
Hi High (pH 8-9.5) 4.27 7.72 -56.49 1 3 -1 52 246.33 3

Activity (Go SEA)

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