UCSF

ZINC37850862

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 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) 2.35 4.92 -53.14 3 4 1 59 307.801 7
Hi High (pH 8-9.5) 2.35 3.55 -8.88 2 4 0 54 306.793 7

Activity (Go SEA)

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