UCSF

ZINC29449958

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2009 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) 3.47 9.57 -12.23 0 5 0 41 396.922 4
Lo Low (pH 4.5-6) 3.47 11.76 -46.65 1 5 1 43 397.93 4
Lo Low (pH 4.5-6) 3.47 10.49 -38.49 1 5 1 43 397.93 4

Activity (Go SEA)

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