UCSF

ZINC01551147

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 2005 24 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) 0.85 -2.97 -14.94 2 8 0 102 336.392 9
Mid Mid (pH 6-8) -3.63 -2.69 -52.49 3 8 1 104 337.4 9

Activity (Go SEA)

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