UCSF

ZINC45201246

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 31 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) 1.47 11.27 -56.56 1 7 1 61 428.601 4
Lo Low (pH 4.5-6) 1.47 11.59 -92.39 2 7 2 62 429.609 4

Activity (Go SEA)

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