UCSF

ZINC38542842

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 26 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) 5.75 10.75 -5.18 1 3 0 28 348.49 5
Mid Mid (pH 6-8) 5.75 12.53 -36.85 2 3 1 29 349.498 5

Activity (Go SEA)

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