UCSF

ZINC36672489

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 21 Yes

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) 0.52 3.77 -45.82 3 6 1 76 295.359 6
Hi High (pH 8-9.5) 0.52 3.38 -12.02 2 6 0 74 294.351 6

Activity (Go SEA)

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