UCSF

ZINC04171132

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 31 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) 3.71 3.69 -9.1 4 7 0 117 418.497 3
Lo Low (pH 4.5-6) 3.71 3.81 -59.49 5 7 1 119 419.505 3

Activity (Go SEA)

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