UCSF

ZINC37859176

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 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) 1.08 1.51 -45.02 3 6 1 83 308.449 6
Mid Mid (pH 6-8) 1.54 -0.78 -62.13 2 6 0 87 307.441 6

Activity (Go SEA)

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