UCSF

ZINC42819212

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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) 2.11 4.53 -39.5 3 4 1 55 286.436 7
Hi High (pH 8-9.5) 2.11 3.11 -5.33 2 4 0 51 285.428 7

Activity (Go SEA)

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