UCSF

ZINC09043192

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 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) 4.67 11.27 -16.65 1 6 0 81 417.49 7
Hi High (pH 8-9.5) 4.73 10.32 -51.14 0 6 -1 88 416.482 7

Activity (Go SEA)

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