UCSF

ZINC20790377

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2008 32 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) 5.02 7.45 -9.16 2 6 0 81 429.52 5
Lo Low (pH 4.5-6) 5.02 7.87 -46.12 3 6 1 82 430.528 5

Activity (Go SEA)

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