UCSF

ZINC33639784

Substance Information

In ZINC since Heavy atoms Benign functionality
July 14th, 2009 18 No

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) -0.74 -3.31 -44.12 5 6 1 102 256.278 7
Hi High (pH 8-9.5) -0.74 -4.88 -56.63 3 6 -1 104 254.262 7
Hi High (pH 8-9.5) -0.74 -5.68 -18.37 4 6 0 101 255.27 7
Mid Mid (pH 6-8) -0.74 -2.51 -68.42 4 6 0 105 255.27 7

Activity (Go SEA)

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