UCSF

ZINC27714797

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 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) 4.44 9.44 -41.21 3 4 1 55 404.53 7
Hi High (pH 8-9.5) 4.44 8.25 -8.83 2 4 0 51 403.522 7

Activity (Go SEA)

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