UCSF

ZINC19877800

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 28 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) 4.64 10.65 -45.93 0 5 -1 67 458.357 4
Lo Low (pH 4.5-6) 4.18 11.73 -10.54 1 5 0 64 459.365 4

Activity (Go SEA)

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