UCSF

ZINC70518853

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 2.96 5.43 -42.48 3 3 1 46 276.331 6
Hi High (pH 8-9.5) 2.96 3.59 -5.27 2 3 0 41 275.323 6

Activity (Go SEA)

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