UCSF

ZINC16448553

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 30 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) 2.85 5.28 -26.72 3 11 0 159 448.486 7
Hi High (pH 8-9.5) 2.85 5.34 -58.55 2 11 -1 161 447.478 7

Activity (Go SEA)

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