UCSF

ZINC16778371

Substance Information

In ZINC since Heavy atoms Benign functionality
September 7th, 2008 34 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) 5.74 9.4 -49.32 1 10 -1 141 498.928 7
Lo Low (pH 4.5-6) 5.74 9.68 -19.25 2 10 0 139 499.936 7

Activity (Go SEA)

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