UCSF

ZINC13075184

Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2008 34 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) 3.24 14.23 -16.73 0 9 0 97 466.469 10
Mid Mid (pH 6-8) 3.24 14.74 -57.05 1 9 1 99 467.477 10

Activity (Go SEA)

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