UCSF

ZINC04150229

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 28 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) 3.83 6.11 -9.49 3 6 0 97 372.428 5
Lo Low (pH 4.5-6) 3.83 5.92 -47.9 4 6 1 99 373.436 5

Activity (Go SEA)

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