UCSF

ZINC20434331

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 16 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) 0.82 1.4 -39.75 4 4 1 66 227.328 2
Hi High (pH 8-9.5) 0.82 0.1 -10.37 3 4 0 61 226.32 2

Activity (Go SEA)

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