UCSF

ZINC36926660

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 2009 13 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) -0.60 0.37 -50.03 3 5 1 79 186.235 7
Hi High (pH 8-9.5) -0.60 -0.99 -10.31 2 5 0 74 185.227 7

Activity (Go SEA)

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