UCSF

ZINC03637015

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2005 23 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) 5.15 4.72 -6.13 0 2 0 36 334.366 5
Lo Low (pH 4.5-6) 5.15 4.91 -34.71 1 2 1 37 335.374 5

Activity (Go SEA)

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