UCSF

ZINC58233806

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 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) 1.19 7.22 -45.48 2 5 1 67 287.339 3
Hi High (pH 8-9.5) 1.19 5.76 -16.3 1 5 0 63 286.331 3

Activity (Go SEA)

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