UCSF

ZINC14887518

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2008 27 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) 3.61 9.48 -40.01 2 4 1 37 369.529 5
Hi High (pH 8-9.5) 3.61 7.36 -4.56 1 4 0 36 368.521 5

Activity (Go SEA)

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