UCSF

ZINC44513177

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 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) 0.02 4.9 -103.97 4 4 2 58 216.325 6
Hi High (pH 8-9.5) 0.02 2.66 -47.26 3 4 1 57 215.317 6

Activity (Go SEA)

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