UCSF

ZINC64502293

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2011 43 No

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) 2.08 6.42 -18.11 3 10 0 118 581.673 4
Hi High (pH 8-9.5) 2.08 6.97 -54.9 2 10 -1 121 580.665 4

Activity (Go SEA)

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