UCSF

ZINC39028645

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 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) 5.64 12.6 -30.79 1 2 1 14 344.478 5
Mid Mid (pH 6-8) 5.64 11.11 -3.76 0 2 0 12 343.47 5

Activity (Go SEA)

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