UCSF

ZINC04126886

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 26 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) 1.34 -6.34 -15.09 5 8 0 147 388.478 5
Lo Low (pH 4.5-6) 1.34 -6.15 -52.27 6 8 1 149 389.486 5
Lo Low (pH 4.5-6) 1.34 -6.12 -44.98 6 8 1 149 389.486 5

Activity (Go SEA)

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