UCSF

ZINC62731004

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 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) 1.92 5.44 -36.33 3 5 1 64 315.821 9
Hi High (pH 8-9.5) 1.92 3.99 -11.57 2 5 0 60 314.813 9

Activity (Go SEA)

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