UCSF

ZINC33849773

Substance Information

In ZINC since Heavy atoms Benign functionality
July 30th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.14 6.47 -58.79 2 9 -1 133 328.308 5
Mid Mid (pH 6-8) 0.14 7.7 -103.77 1 9 -2 131 327.3 5
Lo Low (pH 4.5-6) 0.14 4.49 -20.69 3 9 0 130 329.316 5

Activity (Go SEA)

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