UCSF

ZINC20454813

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2008 28 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) 2.31 8.22 -45.24 3 6 1 72 382.484 8
Hi High (pH 8-9.5) 2.31 7.26 -72.55 3 6 1 75 382.484 8

Activity (Go SEA)

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