UCSF

ZINC69607800

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2011 25 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) 2.06 8.21 -87.71 3 5 2 41 350.551 6
Hi High (pH 8-9.5) 2.06 8.41 -84.34 3 5 2 41 350.551 6

Activity (Go SEA)

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