UCSF

ZINC71886787

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2012 23 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) 1.12 5.97 -8.65 1 6 0 66 312.373 6
Hi High (pH 8-9.5) 1.31 6.01 -52.15 0 6 -1 72 311.365 6

Activity (Go SEA)

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