UCSF

ZINC36626363

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 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) 3.30 5.74 -18.62 1 6 0 89 391.449 5
Mid Mid (pH 6-8) 3.37 4.42 -50.79 0 6 -1 95 390.441 5

Activity (Go SEA)

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