UCSF

ZINC35728239

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 14 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) -0.52 -0.03 -41.77 4 4 1 60 200.306 3
Hi High (pH 8-9.5) -0.52 -0.35 -7.23 3 4 0 58 199.298 3
Mid Mid (pH 6-8) -0.52 1.01 -48.6 4 4 1 63 200.306 3
Mid Mid (pH 6-8) -0.52 1.27 -101.7 5 4 2 65 201.314 3

Activity (Go SEA)

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