UCSF

ZINC28494143

Substance Information

In ZINC since Heavy atoms Benign functionality
February 28th, 2009 28 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) 2.84 7.71 -43.97 0 8 -1 114 402.452 5
Mid Mid (pH 6-8) 2.84 7.64 -20.53 1 8 0 112 403.46 5

Activity (Go SEA)

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