UCSF

ZINC37859379

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 17 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) 0.35 -0.53 -11.1 1 6 0 79 278.355 2
Mid Mid (pH 6-8) 0.80 -2.66 -41.06 0 6 -1 83 277.347 2

Activity (Go SEA)

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