UCSF

ZINC69538227

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 21 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) 2.20 5.03 -38.08 2 4 1 37 308.368 5
Hi High (pH 8-9.5) 2.20 2.84 -6.05 1 4 0 36 307.36 5

Activity (Go SEA)

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