UCSF

ZINC51786240

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2010 17 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) 2.23 4.73 -44.28 3 4 1 55 237.323 7
Hi High (pH 8-9.5) 2.23 3.37 -8.73 2 4 0 50 236.315 7

Activity (Go SEA)

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