UCSF

ZINC16228030

Substance Information

In ZINC since Heavy atoms Benign functionality
August 24th, 2008 28 No

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) 1.76 2.24 -26.8 2 9 0 121 402.432 6
Hi High (pH 8-9.5) 2.21 0.48 -61.47 1 9 -1 124 401.424 6

Activity (Go SEA)

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