UCSF

ZINC37110541

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 15 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) 1.71 6.9 -41.47 1 4 0 58 211.261 5
Hi High (pH 8-9.5) 1.71 4.83 -48.41 0 4 -1 57 210.253 5

Activity (Go SEA)

Rings

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