UCSF

ZINC19439690

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 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) 0.31 0.72 -38.91 3 5 1 58 256.37 4
Hi High (pH 8-9.5) 0.31 -0.54 -9.41 2 5 0 54 255.362 4
Mid Mid (pH 6-8) 0.31 3.07 -94.33 4 5 2 59 257.378 4

Activity (Go SEA)

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