UCSF

ZINC37417817

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 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) -1.18 2.38 -54.8 1 7 -1 110 305.357 3
Mid Mid (pH 6-8) -0.72 0.05 -108.54 0 7 -2 113 304.349 3

Activity (Go SEA)

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