UCSF

ZINC20898531

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 35 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) 4.64 10.36 -16.7 2 7 0 81 464.525 2
Hi High (pH 8-9.5) 4.64 11.16 -45.13 1 7 -1 84 463.517 2

Activity (Go SEA)

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