UCSF

ZINC04146949

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 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) 3.05 4.87 -10.06 3 7 0 100 387.443 4
Lo Low (pH 4.5-6) 3.42 4.62 -62.02 3 7 0 97 388.451 4

Activity (Go SEA)

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