UCSF

ZINC30976216

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 2009 30 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) 2.12 3.43 -18.22 1 9 0 107 405.414 4
Hi High (pH 8-9.5) 2.19 2.39 -40.72 0 9 -1 113 404.406 4

Activity (Go SEA)

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