UCSF

ZINC37097471

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 11 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) 1.37 3.2 -37.37 2 2 1 20 157.281 6
Hi High (pH 8-9.5) 1.37 1.98 -0.93 1 2 0 15 156.273 6
Mid Mid (pH 6-8) 1.37 5.52 -104.3 3 2 2 21 158.289 6
Mid Mid (pH 6-8) 1.37 4.07 -28.99 2 2 1 16 157.281 6

Activity (Go SEA)

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