UCSF

ZINC36869921

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 0.89 0.31 -63.08 3 4 1 65 354.315 4
Hi High (pH 8-9.5) 0.89 0.07 -10.46 2 4 0 63 353.307 4

Activity (Go SEA)

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