UCSF

ZINC52783314

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 14 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) 1.63 3.89 -46.51 2 4 1 46 213.692 1
Hi High (pH 8-9.5) 1.63 2.64 -7.51 1 4 0 41 212.684 1

Activity (Go SEA)

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