UCSF

ZINC47794421

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2010 21 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) 3.78 7.98 -50.83 3 3 1 46 368.32 7
Hi High (pH 8-9.5) 3.78 6.63 -9.72 2 3 0 41 367.312 7

Activity (Go SEA)

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