UCSF

ZINC38220656

Substance Information

In ZINC since Heavy atoms Benign functionality
January 12th, 2010 12 No

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) 1.04 3.71 -12.41 0 2 0 34 182.244 3
Hi High (pH 8-9.5) 0.43 2.41 -53.7 0 2 -1 40 181.236 2

Activity (Go SEA)

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