UCSF

ZINC35452135

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 15 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) 2.16 6.46 -104.21 4 2 2 32 212.381 6
Hi High (pH 8-9.5) 2.16 6.09 -30.65 3 2 1 30 211.373 6

Activity (Go SEA)

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