UCSF

ZINC44964260

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 30 No

CAS Number: 139110-70-6

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) -0.99 4.92 -20.7 3 12 0 170 430.41 12
Lo Low (pH 4.5-6) -0.99 5.23 -56.04 4 12 1 171 431.418 12

Activity (Go SEA)

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