UCSF

ZINC35042852

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 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) 2.97 8.77 -38.04 1 3 1 25 293.406 7
Hi High (pH 8-9.5) 2.97 6.5 -7.52 0 3 0 24 292.398 7
Mid Mid (pH 6-8) 2.97 8.77 -42.67 1 3 1 25 293.406 7

Activity (Go SEA)

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