UCSF

ZINC35511581

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 28 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) 6.02 12.01 -7.44 1 5 0 45 436.357 4
Lo Low (pH 4.5-6) 6.02 12.99 -65.37 2 5 0 47 437.365 4

Activity (Go SEA)

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