UCSF

ZINC36873186

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 14 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) 0.61 3.62 -45.35 3 3 1 48 217.358 4
Hi High (pH 8-9.5) 0.61 3.29 -7.23 2 3 0 46 216.35 4

Activity (Go SEA)

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