UCSF

ZINC26896751

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2009 12 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) -1.56 -3.61 -96.58 7 5 2 97 177.248 7
Mid Mid (pH 6-8) -4.39 -3.63 -29.83 7 5 1 97 176.24 7

Activity (Go SEA)

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