UCSF

ZINC37859304

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 20 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) 0.93 -0.04 -14.58 2 7 0 99 321.424 5
Mid Mid (pH 6-8) 1.39 -2.19 -52.59 1 7 -1 102 320.416 5

Activity (Go SEA)

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