UCSF

ZINC20227464

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 24 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) 4.96 4.08 -11.59 3 5 0 86 381.24 2
Hi High (pH 8-9.5) 4.96 5.02 -41.52 2 5 -1 89 380.232 2

Activity (Go SEA)

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