UCSF

ZINC04325419

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2005 29 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) 2.50 9.98 -9.23 0 6 0 63 385.423 4
Lo Low (pH 4.5-6) 2.50 10.51 -42.05 1 6 1 64 386.431 4
Lo Low (pH 4.5-6) 2.50 10.5 -44.1 1 6 1 64 386.431 4

Activity (Go SEA)

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