UCSF

ZINC16599759

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 31 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) 3.65 8.53 -76.92 2 6 0 82 441.528 8
Hi High (pH 8-9.5) 3.65 5.99 -50.22 1 6 -1 81 440.52 8
Mid Mid (pH 6-8) 3.65 5.87 -15.38 2 6 0 79 441.528 8
Mid Mid (pH 6-8) 3.65 8.41 -52.52 3 6 1 80 442.536 8

Activity (Go SEA)

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