UCSF

ZINC44679088

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 21 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) 2.04 7.82 -39.98 4 4 1 55 303.455 4
Mid Mid (pH 6-8) 2.04 8.11 -94.45 5 4 2 57 304.463 4

Activity (Go SEA)

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