UCSF

ZINC35766505

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 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) 4.69 9.5 -107.34 3 2 2 21 252.446 4
Hi High (pH 8-9.5) 4.69 8.35 -29.52 2 2 1 16 251.438 4
Hi High (pH 8-9.5) 4.69 7.48 -30.69 2 2 1 20 251.438 4

Activity (Go SEA)

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