UCSF

ZINC13608036

Substance Information

In ZINC since Heavy atoms Benign functionality
June 22nd, 2008 26 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) 5.20 14.45 -31.51 1 2 1 8 414.411 4
Lo Low (pH 4.5-6) 5.20 14.48 -33.29 1 2 1 8 414.411 4

Activity (Go SEA)

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