UCSF

ZINC05885885

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 24 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) 3.14 -6.43 -16.16 2 6 0 92 368.48 5
Hi High (pH 8-9.5) 3.14 -5.96 -52.94 1 6 -1 94 367.472 5
Hi High (pH 8-9.5) 3.14 -5.97 -42.7 1 6 -1 94 367.472 5
Hi High (pH 8-9.5) 3.14 -5.5 -104.32 0 6 -2 96 366.464 5

Activity (Go SEA)

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