UCSF

ZINC13689365

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 33 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) 4.48 8.62 -14.51 0 6 0 65 454.404 5
Lo Low (pH 4.5-6) 4.48 11.85 -115.26 2 6 2 67 456.42 5
Lo Low (pH 4.5-6) 4.48 9.09 -43.1 1 6 1 66 455.412 5

Activity (Go SEA)

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