UCSF

ZINC65606401

Substance Information

In ZINC since Heavy atoms Benign functionality
July 22nd, 2011 14 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) 1.72 5.45 -35.13 2 3 1 34 197.302 4
Hi High (pH 8-9.5) 1.72 3.25 -6.74 1 3 0 32 196.294 4

Activity (Go SEA)

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