UCSF

ZINC45653517

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 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) 3.41 9.16 -79.64 3 4 2 34 278.444 6
Hi High (pH 8-9.5) 3.41 6.75 -25.04 2 4 1 33 277.436 6
Hi High (pH 8-9.5) 3.41 8.77 -36.5 2 4 1 33 277.436 6

Activity (Go SEA)

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