UCSF

ZINC13571215

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 28 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) 3.79 11.01 -13.6 1 5 0 66 375.472 4
Hi High (pH 8-9.5) 4.24 8.18 -58.36 0 5 -1 69 374.464 4

Activity (Go SEA)

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