UCSF

ZINC21639468

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 23 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) 3.57 10.31 -46.42 2 5 1 51 313.425 5
Hi High (pH 8-9.5) 3.57 7.92 -7.49 1 5 0 50 312.417 5

Activity (Go SEA)

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