UCSF

ZINC21930160

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2008 19 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) 1.13 4.56 -9.5 1 7 0 68 262.317 3
Mid Mid (pH 6-8) 1.13 4.89 -32.92 2 7 1 69 263.325 3

Activity (Go SEA)

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