UCSF

ZINC04265399

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) 3.98 9.59 -10.6 1 4 0 51 301.349 4
Lo Low (pH 4.5-6) 3.98 10.02 -26.52 2 4 1 52 302.357 4

Activity (Go SEA)

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