UCSF

ZINC03629568

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2004 32 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) 5.12 9.66 -11.83 1 6 0 69 460.843 6
Lo Low (pH 4.5-6) 5.18 8.34 -38.01 2 6 1 74 461.851 6

Activity (Go SEA)

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