UCSF

ZINC36946426

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 15 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) -0.50 0.04 -37.03 3 5 1 55 216.305 5
Lo Low (pH 4.5-6) -0.50 -0.63 -42.43 3 5 1 58 216.305 5
Lo Low (pH 4.5-6) -0.50 1.34 -111.49 4 5 2 59 217.313 5

Activity (Go SEA)

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