UCSF

ZINC70514298

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 1.78 6.4 -150.45 5 4 3 46 288.5 9
Hi High (pH 8-9.5) 1.78 5.12 -93.88 4 4 2 41 287.492 9

Activity (Go SEA)

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