UCSF

ZINC35776487

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 16 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) 1.23 2.01 -48.24 3 4 1 57 227.328 1
Mid Mid (pH 6-8) 1.23 1.76 -5.52 2 4 0 56 226.32 1

Activity (Go SEA)

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