UCSF

ZINC13552960

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 22 No

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) 2.99 9.03 -8.26 1 4 0 54 331.828 3
Mid Mid (pH 6-8) 2.99 8.34 -44.77 0 4 -1 56 330.82 4
Lo Low (pH 4.5-6) 2.99 9.1 -29.71 2 4 1 56 332.836 3

Activity (Go SEA)

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