UCSF

ZINC20227824

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 4.58 13.36 -77.53 1 6 0 74 462.59 12
Lo Low (pH 4.5-6) 4.58 12.53 -53 2 6 1 71 463.598 12

Activity (Go SEA)

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