UCSF

ZINC23399695

Substance Information

In ZINC since Heavy atoms Benign functionality
December 31st, 2008 30 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) 2.49 6.42 -20.73 2 7 0 103 431.489 5
Hi High (pH 8-9.5) 3.40 5.36 -47.94 1 7 -1 106 430.481 5

Activity (Go SEA)

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