UCSF

ZINC42413593

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 18 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) 3.23 9.74 -15.65 0 2 0 34 258.239 6
Hi High (pH 8-9.5) 3.98 8.64 -46.44 0 2 -1 40 257.231 5

Activity (Go SEA)

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