UCSF

ZINC36683158

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 15 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) 0.46 0.53 -49.37 4 5 1 75 211.241 5
Hi High (pH 8-9.5) 0.46 0.09 -8.02 3 5 0 74 210.233 5

Activity (Go SEA)

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