UCSF

ZINC37822880

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 20 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) 1.21 3.06 -47.58 4 5 1 77 281.376 7
Mid Mid (pH 6-8) 1.21 2.73 -11.41 3 5 0 76 280.368 7

Activity (Go SEA)

Rings

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