UCSF

ZINC20899004

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 25 No

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) 1.30 5.42 -46.61 1 7 -1 90 422.284 1
Lo Low (pH 4.5-6) 0.84 6.47 -14.73 2 7 0 87 423.292 1

Activity (Go SEA)

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