UCSF

ZINC09076621

Substance Information

In ZINC since Heavy atoms Benign functionality
August 7th, 2007 29 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) 3.55 11.71 -11.34 2 6 0 70 428.945 6
Lo Low (pH 4.5-6) 3.55 11.82 -60.12 3 6 0 71 429.953 6
Lo Low (pH 4.5-6) 3.55 11.82 -60.16 3 6 0 71 429.953 6

Activity (Go SEA)

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