UCSF

ZINC22935557

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 30 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) 3.51 8.55 -53.36 1 6 1 56 472.359 4
Mid Mid (pH 6-8) 3.51 5.71 -8.34 0 6 0 55 471.351 4
Lo Low (pH 4.5-6) 3.51 7.98 -49.49 1 6 1 56 472.359 4

Activity (Go SEA)

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