UCSF

ZINC03637014

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) 5.38 4.34 -5.95 0 2 0 36 336.382 5
Lo Low (pH 4.5-6) 5.38 4.53 -34.32 1 2 1 37 337.39 5

Activity (Go SEA)

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