UCSF

ZINC19505521

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 19 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) 0.81 4.82 -10.32 3 5 0 75 256.309 4
Lo Low (pH 4.5-6) 0.81 5.24 -41.24 4 5 1 76 257.317 4

Activity (Go SEA)

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