UCSF

ZINC34527563

Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2009 11 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) -0.10 0.59 -13.13 2 4 0 66 172.571 1
Hi High (pH 8-9.5) 0.35 -1.38 -32.41 1 4 -1 69 171.563 1

Activity (Go SEA)

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