UCSF

ZINC39343559

Substance Information

In ZINC since Heavy atoms Benign functionality
February 13th, 2010 16 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) 1.46 6.82 -51.66 1 4 1 61 216.264 4
Hi High (pH 8-9.5) 1.46 4.28 -11.04 0 4 0 60 215.256 4

Activity (Go SEA)

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