UCSF

ZINC16576664

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2008 22 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) 0.63 4.52 -19.64 1 7 0 92 318.358 4
Hi High (pH 8-9.5) 0.82 3.28 -50.52 0 7 -1 99 317.35 4

Activity (Go SEA)

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