UCSF

ZINC06449937

Substance Information

In ZINC since Heavy atoms Benign functionality
March 29th, 2006 17 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) 1.37 0.64 -38.11 4 4 1 66 240.323 8
Hi High (pH 8-9.5) 1.37 -0.65 -7.04 3 4 0 62 239.315 8

Activity (Go SEA)

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