UCSF

ZINC04168095

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) 3.16 7.15 -20.51 0 6 0 76 402.497 3
Lo Low (pH 4.5-6) 3.16 8.04 -37.9 1 6 1 78 403.505 3

Activity (Go SEA)

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