UCSF

ZINC35511848

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 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) 4.08 9.88 -14.4 2 5 0 67 352.482 6
Lo Low (pH 4.5-6) 4.08 10.26 -33.04 3 5 1 68 353.49 6

Activity (Go SEA)

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