UCSF

ZINC34465467

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 17 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) -0.39 2.31 -9.77 2 7 0 102 247.247 8
Hi High (pH 8-9.5) -0.20 -0.14 -50.1 1 7 -1 108 246.239 8

Activity (Go SEA)

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