UCSF

ZINC37859366

Substance Information

In ZINC since Heavy atoms Benign functionality
December 10th, 2009 18 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) -0.18 -1.75 -19.4 3 7 0 113 291.354 3
Mid Mid (pH 6-8) 0.28 -3.88 -50.48 2 7 -1 116 290.346 3

Activity (Go SEA)

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