UCSF

ZINC02147251

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2004 20 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) 4.28 6.29 -9.74 0 3 0 31 293.725 4
Ref Reference (pH 7) 4.28 7.1 -8.24 0 3 0 31 293.725 4
Lo Low (pH 4.5-6) 4.28 6.74 -41.63 1 3 1 32 294.733 4
Lo Low (pH 4.5-6) 4.28 6.72 -39.2 1 3 1 32 294.733 4
Lo Low (pH 4.5-6) 4.28 7.44 -35.94 1 3 1 32 294.733 4

Activity (Go SEA)

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