UCSF

ZINC31156069

Substance Information

In ZINC since Heavy atoms Benign functionality
April 6th, 2009 25 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) -0.54 -5.64 -23.86 5 9 0 150 354.311 3
Hi High (pH 8-9.5) -0.54 -4.64 -74.26 4 9 -1 153 353.303 3

Activity (Go SEA)

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