UCSF

ZINC14539368

Substance Information

In ZINC since Heavy atoms Benign functionality
July 11th, 2008 36 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) 3.90 11.62 -48.02 3 9 1 99 494.616 11
Lo Low (pH 4.5-6) 3.90 11.88 -96.19 4 9 2 100 495.624 11

Activity (Go SEA)

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