UCSF

ZINC35660469

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 18 No

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) 2.73 4.11 -9.3 1 4 0 63 261.281 2
Mid Mid (pH 6-8) 3.26 3.83 -10.25 2 4 0 65 261.281 2

Activity (Go SEA)

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