UCSF

ZINC28755713

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2009 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) 2.15 5.54 -43.96 4 4 1 60 264.393 6
Hi High (pH 8-9.5) 2.15 3.22 -12.57 3 4 0 58 263.385 6

Activity (Go SEA)

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