UCSF

ZINC23359395

Substance Information

In ZINC since Heavy atoms Benign functionality
December 30th, 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) 2.45 5.47 -39.89 4 5 1 66 354.474 7
Lo Low (pH 4.5-6) 2.45 6.71 -127.17 5 5 2 70 355.482 7

Activity (Go SEA)

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