UCSF

ZINC53660724

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2010 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) 3.48 11.31 -101.93 3 2 2 21 276.468 7
Hi High (pH 8-9.5) 3.48 9.07 -39.27 2 2 1 20 275.46 7

Activity (Go SEA)

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