UCSF

ZINC37534656

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2009 17 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) 2.57 7.88 -40.44 2 2 1 29 227.331 5
Hi High (pH 8-9.5) 2.57 6.88 -4.22 1 2 0 25 226.323 5

Activity (Go SEA)

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