UCSF

ZINC27715266

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 2009 15 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) 1.96 4.49 -10.11 1 4 0 64 208.213 3
Hi High (pH 8-9.5) 1.96 5.37 -46.21 0 4 -1 66 207.205 3

Activity (Go SEA)

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