UCSF

ZINC42895679

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 21 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) 4.09 10.04 -42.96 2 2 1 26 300.447 5
Hi High (pH 8-9.5) 4.09 9.22 -4.49 1 2 0 21 299.439 5

Activity (Go SEA)

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