UCSF

ZINC45696431

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 21 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) 2.25 9.59 -64.96 1 6 0 65 290.367 7
Hi High (pH 8-9.5) 2.25 7.13 -60.04 0 6 -1 64 289.359 7
Mid Mid (pH 6-8) 2.25 10.04 -81.04 2 6 1 66 291.375 7

Activity (Go SEA)

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