UCSF

ZINC06314983

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2006 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) 4.45 6.18 -8.9 1 3 0 46 395.105 4
Hi High (pH 8-9.5) 4.45 5.81 -41.84 0 3 -1 48 394.097 4

Activity (Go SEA)

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