UCSF

ZINC13569590

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 23 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) 1.29 5.93 -46.6 2 5 1 56 317.409 9
Lo Low (pH 4.5-6) 1.29 6.22 -109.99 3 5 2 57 318.417 9

Activity (Go SEA)

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