UCSF

ZINC19259823

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 21 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) 1.21 6.46 -50.65 3 3 1 40 285.411 3
Hi High (pH 8-9.5) 1.21 5.63 -4.6 2 3 0 38 284.403 3
Lo Low (pH 4.5-6) 1.21 8.1 -142.82 4 3 2 41 286.419 3

Activity (Go SEA)

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