UCSF

ZINC36305189

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 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) 0.55 1.9 -42.15 3 3 1 40 199.318 1
Hi High (pH 8-9.5) 0.55 1.16 -1.55 2 3 0 38 198.31 1
Mid Mid (pH 6-8) 0.55 2.97 -114.02 4 3 2 41 200.326 1

Activity (Go SEA)

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