UCSF

ZINC04098405

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 18 Yes

CAS Numbers: 102518-79-6 , 116-28-9

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) 2.65 -1.78 -51.77 4 3 1 60 243.33 0
Mid Mid (pH 6-8) 3.11 -3.19 -48.52 4 3 1 60 243.33 0

Activity (Go SEA)

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