UCSF

ZINC20211627

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 21 Yes

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) 3.79 4.41 -12.6 3 4 0 70 279.295 2
Hi High (pH 8-9.5) 3.79 5.42 -56.32 2 4 -1 72 278.287 2

Activity (Go SEA)

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