UCSF

ZINC49021346

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2010 19 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) 2.39 5.52 -50.11 4 3 1 60 275.397 5
Hi High (pH 8-9.5) 2.39 4.32 -9.83 3 3 0 55 274.389 5

Activity (Go SEA)

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