UCSF

ZINC35511596

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 30 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) 4.87 10.19 -10.81 1 7 0 64 468.355 6
Lo Low (pH 4.5-6) 4.87 10.92 -65.17 2 7 0 65 469.363 6

Activity (Go SEA)

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