UCSF

ZINC22135257

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2008 28 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) 3.94 8.78 -40.35 0 6 -1 76 507.329 5
Lo Low (pH 4.5-6) 3.48 9.83 -11.31 1 6 0 73 508.337 5

Activity (Go SEA)

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