UCSF

ZINC16039285

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2008 26 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) 1.60 4.77 -47.42 4 5 1 82 365.482 6
Hi High (pH 8-9.5) 1.60 4.45 -8.42 3 5 0 81 364.474 6

Activity (Go SEA)

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