UCSF

ZINC12402861

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 29 No

CAS Number: [63142-71-2]

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) -4.90 -6.56 -370.7 4 18 -4 295 480.112 9
Mid Mid (pH 6-8) -4.90 -7.72 -234.95 5 18 -3 292 481.12 9

Activity (Go SEA)

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