UCSF

ZINC37072325

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 4.28 5.91 -8.1 2 3 0 56 337.604 3
Hi High (pH 8-9.5) 4.28 6.67 -34.77 1 3 -1 59 336.596 3

Activity (Go SEA)

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