UCSF

ZINC36680868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2009 12 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) 0.68 3.66 -45.43 2 3 1 50 171.264 7
Hi High (pH 8-9.5) 0.68 2.47 -6.73 1 3 0 45 170.256 7

Activity (Go SEA)

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