UCSF

ZINC59364530

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2011 30 No

CAS Number: 906364-48-5

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) -0.28 2.35 -56.35 6 9 0 165 414.414 2
Mid Mid (pH 6-8) -0.28 0.94 -56.38 5 9 -1 164 413.406 2

Activity (Go SEA)

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