UCSF

ZINC41681422

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 1.23 6.44 -45.35 2 5 1 58 252.338 6
Hi High (pH 8-9.5) 1.23 5.09 -51.75 2 5 1 62 252.338 6
Mid Mid (pH 6-8) 1.23 7.51 -60.77 1 5 0 61 251.33 6

Activity (Go SEA)

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