UCSF

ZINC23251676

Substance Information

In ZINC since Heavy atoms Benign functionality
December 28th, 2008 27 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) 3.56 9.1 -60.32 3 5 1 70 364.469 6
Hi High (pH 8-9.5) 4.01 8.2 -79.1 2 5 0 74 363.461 6

Activity (Go SEA)

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