UCSF

ZINC06010209

Substance Information

In ZINC since Heavy atoms Benign functionality
February 23rd, 2006 34 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) 4.96 11.5 -139.71 0 7 -2 116 454.434 5
Mid Mid (pH 6-8) 4.96 10.55 -28.89 2 7 0 110 456.45 5
Mid Mid (pH 6-8) 4.96 10.9 -60.83 1 7 -1 113 455.442 5
Mid Mid (pH 6-8) 4.96 11.65 -142.63 0 7 -2 116 454.434 5
Lo Low (pH 4.5-6) 4.96 10.3 -26.54 2 7 0 110 456.45 5

Activity (Go SEA)

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