UCSF

ZINC19423881

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 16 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) 0.24 4.03 -41.59 4 3 1 57 221.324 6
Hi High (pH 8-9.5) 0.24 3.74 -6.5 3 3 0 55 220.316 6

Activity (Go SEA)

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