UCSF

ZINC36199055

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 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) 2.92 7.17 -95.31 5 4 2 61 293.455 8
Hi High (pH 8-9.5) 2.92 6.59 -39.79 4 4 1 60 292.447 8

Activity (Go SEA)

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