UCSF

ZINC52457040

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 18 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) 3.41 6.72 -33.66 2 2 1 20 269.478 7
Hi High (pH 8-9.5) 3.41 6.86 -1.02 1 2 0 15 268.47 7

Activity (Go SEA)

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