UCSF

ZINC47367403

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2010 20 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) 2.40 4.15 -50.99 1 5 -1 77 297.4 7
Mid Mid (pH 6-8) 2.40 4.16 -13.4 2 5 0 75 298.408 7

Activity (Go SEA)

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