UCSF

ZINC36787653

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 20 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) 3.26 9.82 -40.55 1 4 0 58 275.348 5
Hi High (pH 8-9.5) 3.26 7.78 -52.17 0 4 -1 57 274.34 5

Activity (Go SEA)

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