UCSF

ZINC52294094

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2010 12 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) 1.52 4.93 -103.07 4 2 2 33 170.3 4
Hi High (pH 8-9.5) 1.52 3.68 -35.37 3 2 1 29 169.292 4

Activity (Go SEA)

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