UCSF

ZINC37078396

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.93 6.46 -117.26 4 2 2 32 208.349 4
Mid Mid (pH 6-8) 1.93 4.27 -45.61 3 2 1 31 207.341 4
Mid Mid (pH 6-8) 1.93 6.37 -28.75 3 2 1 30 207.341 4

Activity (Go SEA)

Rings

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