UCSF

ZINC00933365

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 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) 3.46 0.04 -17.69 1 5 0 47 427.957 9
Lo Low (pH 4.5-6) 3.46 12.09 -58.98 2 5 1 48 428.965 9

Activity (Go SEA)

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