UCSF

ZINC19469996

Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2008 15 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) 2.05 4.89 -13.77 3 3 0 51 221.329 3
Lo Low (pH 4.5-6) 2.05 5.21 -44.55 4 3 1 52 222.337 3

Activity (Go SEA)

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