UCSF

ZINC06748236

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 22 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) 4.61 10.63 -12.88 0 4 0 39 315.442 7
Mid Mid (pH 6-8) 4.61 11.13 -22.94 1 4 1 41 316.45 7

Activity (Go SEA)

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