UCSF

ZINC04358606

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2005 22 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) 5.89 11.4 -3.54 0 2 0 6 294.442 4
Lo Low (pH 4.5-6) 5.89 12.07 -31.18 1 2 1 8 295.45 4

Activity (Go SEA)

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