UCSF

ZINC35046477

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 20 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) 1.16 0.84 -51.49 4 5 1 80 298.432 6
Hi High (pH 8-9.5) 1.16 -0.28 -9.32 3 5 0 75 297.424 6
Mid Mid (pH 6-8) 1.16 3.27 -131.12 5 5 2 81 299.44 6
Mid Mid (pH 6-8) 1.16 2.18 -42.9 4 5 1 77 298.432 6

Activity (Go SEA)

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