UCSF

ZINC10519727

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2007 29 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) 4.31 -4.51 -14.95 1 6 0 79 431.583 5
Lo Low (pH 4.5-6) 4.31 -4.47 -41.33 2 6 1 80 432.591 5

Activity (Go SEA)

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