UCSF

ZINC45686520

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 2.62 5.5 -46.14 3 4 1 63 252.334 7
Hi High (pH 8-9.5) 2.62 4.4 -7.09 2 4 0 59 251.326 7

Activity (Go SEA)

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