UCSF

ZINC03909326

Substance Information

In ZINC since Heavy atoms Benign functionality
October 17th, 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) 8.08 15.41 -4.08 0 1 0 12 371.568 4
Lo Low (pH 4.5-6) 8.08 15.76 -31.05 1 1 1 14 372.576 4
Lo Low (pH 4.5-6) 8.08 15.08 -35.58 1 1 1 14 372.576 4

Activity (Go SEA)

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