UCSF

ZINC19636868

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 17 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) 2.05 7.34 -82.49 2 3 2 12 243.439 7
Hi High (pH 8-9.5) 2.05 4.8 -33.55 1 3 1 11 242.431 7

Activity (Go SEA)

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