UCSF

ZINC43423552

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 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) 1.76 2.94 -43.92 3 3 1 40 267.418 3
Hi High (pH 8-9.5) 1.76 2.49 -3.48 2 3 0 38 266.41 3

Activity (Go SEA)

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