UCSF

ZINC19798682

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2008 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) 1.19 6.66 -14.93 1 6 0 67 354.454 7
Lo Low (pH 4.5-6) 1.19 7.09 -47.45 2 6 1 69 355.462 7

Activity (Go SEA)

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