UCSF

ZINC20233205

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) 3.31 12.17 -75.11 1 9 0 120 465.506 11
Lo Low (pH 4.5-6) 3.31 11.36 -59.38 2 9 1 117 466.514 11

Activity (Go SEA)

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