UCSF

ZINC08765528

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2007 21 No

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) 1.78 7.06 -13.51 1 4 0 41 298.415 4
Lo Low (pH 4.5-6) 1.78 7.5 -27.96 2 4 1 42 299.423 4
Lo Low (pH 4.5-6) 1.78 7.35 -41.03 2 4 1 42 299.423 4
Lo Low (pH 4.5-6) 1.78 7.79 -77.52 3 4 2 44 300.431 4

Activity (Go SEA)

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