UCSF

ZINC04171024

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 27 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) 4.34 5.98 -8.3 3 5 0 88 401.228 2
Lo Low (pH 4.5-6) 4.34 6.28 -59.95 4 5 1 89 402.236 2

Activity (Go SEA)

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