UCSF

ZINC36785635

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 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) 1.33 3.06 -36.22 2 2 1 20 157.281 5
Hi High (pH 8-9.5) 1.33 1.6 -0.96 1 2 0 15 156.273 5
Mid Mid (pH 6-8) 1.33 5.34 -105.4 3 2 2 21 158.289 5
Mid Mid (pH 6-8) 1.33 3.9 -30.22 2 2 1 16 157.281 5

Activity (Go SEA)

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